SANC00720 Neoechinuline A



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MCULE-2431590812 1 C1C=C2C(NC(C(C)(C)C=C)=C2/C=C2/C(=O)N[C@@H](C)C(=O)N/2)=CC=1
MolPort-005-944-644 1 C[C@@H]1NC(=O)\C(NC1=O)=C\C1=C(NC2=CC=CC=C12)C(C)(C)C=C
MCULE-3629527872 0.95 C1C=C2C(/C=C3/C(=O)N[C@@H](C)C(=O)N/3)=C(C(C=C)(C)C)NC2=CC=1C/C=C(\C)/C
MolPort-038-386-736 0.95 C[C@@H]1NC(=O)\C(NC1=O)=C\C1=C(NC2=CC(CC=C(C)C)=CC=C12)C(C)(C)C=C
MCULE-8692968387 0.87 C1(=O)C(=O)N/C(=C\C2C3C=CC(C/C=C(\C)/C)=CC=3NC=2C(C)(C=C)C)/C(=O)N1
MCULE-7363585141 0.84 C1C=C2C(NC3C(C)(C)C=CN4C(=O)[C@H](C)NC(=O)C4=CC2=3)=CC=1OC
MolPort-019-627-083 0.67 CN(CCC1=NC=CC=C1)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MCULE-6725793341 0.67 C(NC(C1=CC=CC=C1)=O)(C(=O)N(C)CCC1C=CC=CN=1)=CC1C2C=CC=CC=2NC=1
MolPort-035-789-694 0.66 CN1C(=O)C(NCCC2=CC=C(F)C=C2)=C(C1=O)C1=C(C)NC2=CC=CC=C12
MCULE-6327061718 0.66 CN1C(=O)C(C2C3C(=CC=CC=3)NC=2C)=C(NCCC2C=CC(F)=CC=2)C1=O
MolPort-002-719-423 0.65 O=C(NCCC1=CC2=CC=CC=C2N1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CC=CN=C1
MCULE-2335566273 0.65 C(=CC1C=CC=NC=1)(C(NCCC1=CC2=C(C=CC=C2)N1)=O)NC(C1=CC=CC=C1)=O
MCULE-2157246703 0.65 C1(C2C=CC=CC=2NC=1)C=C(C(NCCC1C=CC=CC=1)=O)NC(C1=CC=CC=C1)=O
MCULE-8901341457 0.65 C(NC(C1C=CC=CC=1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCN(CC1)C=CC1C=CC=CC=1
MCULE-1755275390 0.65 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCC2=C(C=CC=C2)C1
MolPort-019-628-967 0.65 O=C(NCCC1=CC=CC=C1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-546-042 0.65 O=C(N\C(=C/C1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)\C=C\C1=CC=CC=C1)C1=CC=CC=C1
MolPort-019-628-604 0.65 O=C(N\C(=C/C1=CNC2=CC=CC=C12)C(=O)N1CCC2=CC=CC=C2C1)C1=CC=CC=C1
MCULE-3247025513 0.64 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCN(C2CCC3=C(C=CC=C3)C2)CC1
MCULE-8285295295 0.64 C(NC(C1C=CC=CC=1)=O)(C(=O)NC1CC1)=CC1C2C=CC=CC=2NC=1
MCULE-5258930447 0.64 C(NC(C1C=CC=CC=1)=O)(C(=O)NC(C)CC1=CC=CC=C1)=CC1C2C=CC=CC=2NC=1
MolPort-019-617-595 0.64 O=C(N\C(=C/C1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C1CCC2=CC=CC=C2C1)C1=CC=CC=C1
MolPort-019-598-691 0.64 O=C(NC1CC1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-627-300 0.64 CC(CC1=CC=CC=C1)NC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-001-635-168 0.63 CN1C(=O)NC(=O)\C1=C/C1=C(C)NC2=CC=CC=C12
MCULE-8033158272 0.63 N1C(=O)C(N(C)C1=O)=CC1C2C=CC=CC=2NC=1C
MCULE-4529122239 0.63 C(NC(C1C=CC=CC=1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCN(C(C)=O)CC1
MCULE-5891130585 0.63 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCN(CC1)CC1C=CC=CC=1
MCULE-2689732903 0.63 C(NC(C1C=CC=CC=1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCN(CC1)CC
MCULE-9574156747 0.63 C1(C2C=CC=CC=2NC=1)C=C(C(NCCC1C=CC=C(Cl)C=1)=O)NC(C1C=CC=CC=1)=O
MolPort-019-631-568 0.63 CCN1CCN(CC1)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-550-849 0.63 CC(=O)N1CCN(CC1)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-638-816 0.63 O=C(N\C(=C/C1=CNC2=CC=CC=C12)C(=O)N1CCN(CC2=CC=CC=C2)CC1)C1=CC=CC=C1
MolPort-019-630-541 0.63 ClC1=CC=CC(CCNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)=C1
MolPort-019-628-038 0.63 FC1=CC=CC(CCNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)=C1
MolPort-019-550-848 0.63 ClC1=CC=C(CCNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)C=C1
MolPort-019-629-713 0.62 O=C(NCCCC1=NC=CN1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-035-669-433 0.62 COC1=CC=C2NC=C(\C=C(/NC(=O)C3=CC=CC=C3)C(=O)N(C)CCC3=CC=CC=N3)C2=C1
MolPort-019-555-699 0.62 CN(C)CCN(C)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-546-020 0.62 O=C(NCCN1CCCCC1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-000-837-910 0.62 CCCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(C)C2=CC=CC=C12
MolPort-019-550-863 0.62 CN(C)CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-550-865 0.62 CCN(CC)CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-002-719-541 0.62 O=C(NCCC1=NC=CC=C1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CC=CN=C1
MolPort-019-553-270 0.62 FC1=C(CCNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)C=CC=C1
MolPort-019-555-693 0.62 CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-553-271 0.62 O=C(N\C(=C/C1=CNC2=CC=CC=C12)C(=O)N1CCC(CC2=CC=CC=C2)CC1)C1=CC=CC=C1
MCULE-6213684456 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCC1C=CC=C(F)C=1)=O)NC(C1C=CC=CC=1)=O
MCULE-4355376512 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCC1=CC=C(Cl)C=C1)=O)NC(C1C=CC=CC=1)=O
MCULE-2492732444 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCCC1NC=CN=1)=O)NC(C1=CC=CC=C1)=O
MCULE-1492202194 0.62 C1(=CC=C2NC=C(C=C(NC(=O)C3C=CC=CC=3)C(=O)N(CCC3N=CC=CC=3)C)C2=C1)OC
MCULE-7540054675 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCN1CCCCC1)=O)NC(C1C=CC=CC=1)=O
MCULE-7226490023 0.62 C1(C2=CC=CC=C2N(C)C=1)C=C(C(NCCC)=O)NC(C1=CC=CC=C1)=O
MCULE-1083695435 0.62 C(NC(C1=CC=CC=C1)=O)(C(=O)N(C)CCN(C)C)=CC1C2C=CC=CC=2NC=1
MCULE-5292144528 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCN(C)C)=O)NC(C1C=CC=CC=1)=O
MCULE-6637856715 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCN(CC)CC)=O)NC(C1C=CC=CC=1)=O
MCULE-1697136765 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCCC1=CC=CC=C1F)=O)NC(C1C=CC=CC=1)=O
MCULE-9996708614 0.62 C(=CC1C=CC=NC=1)(C(NCCC1C=CC=CN=1)=O)NC(C1=CC=CC=C1)=O
MCULE-4883481735 0.62 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCC(CC1)CC1C=CC=CC=1
MCULE-8549228641 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCC)=O)NC(C1=CC=CC=C1)=O
MCULE-2564123555 0.62 C1(C2C=CC=CC=2NC=1)C=C(C(NCC=C)=O)NC(C1C=CC=CC=1)=O
MCULE-3963775953 0.62 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(C1=CC=CC=C1)=O)C(=O)N(CC(C)C)CC(C)C
MCULE-4513358020 0.62 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(C1=CC=CC=C1)=O)C(=O)N(CCC)CCC
MCULE-4431214171 0.62 C1(C2C=CC=CC=2N(CC)C=1)C=C(C(NCCC)=O)NC(C1=CC=CC=C1)=O
MolPort-019-555-723 0.62 C=CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-007-685-898 0.62 CCN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)N(CC(C)C)CC(C)C)C2=CC=CC=C12
MolPort-007-685-895 0.62 CCCN(CCC)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-007-685-884 0.62 CCCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-001-590-433 0.61 CN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCN(C)CC2)C2=CC=CC=C12
MolPort-000-809-863 0.61 CCCNC(=O)C(\NC(=O)C1=CC=C(C)C=C1)=C\C1=CN(C)C2=CC=CC=C12
MCULE-9854578600 0.61 C1(C2=CC=CC=C2N(C)C=1)C=C(NC(C1=CC=CC=C1)=O)C(=O)N1CCN(CC1)C
MCULE-2420680525 0.61 C1(C2=CC=CC=C2N(C)C=1)C=C(C(NCCC)=O)NC(=O)C1C=CC(=CC=1)C
MCULE-6171651989 0.61 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCC(C)CC1
MCULE-7918089710 0.61 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCCC(C)C1
MCULE-1170168872 0.61 C(NC(C1C=CC=CC=1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N(C)CC1=CC=CC=C1
MCULE-2183005680 0.61 C1(C2C=CC=CC=2NC=1)C=C(C(=O)NCC(O)=O)NC(C1C=CC=CC=1)=O
MCULE-3958801813 0.61 C1(C2C=CC=CC=2N(C)C=1)C=C(C(NCCN(CC)CC)=O)NC(C1=CC=CC=C1)=O
MCULE-1132131873 0.61 C1(C2C=CC=CC=2NC=1)C=C(NC(C)=O)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O
MCULE-2219919708 0.61 C1(C2C=CC=CC=2NC=1)/C=C(\NC(C)=O)/C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O
MCULE-3381962533 0.61 C1(C2=CC=CC=C2N(C)C=1)C=C(NC(C1C=CC=CC=1)=O)C(=O)N(CC)CC
MCULE-4902868360 0.61 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(C1C=CC=CC=1)=O)C(=O)NC(C)C
MCULE-1819215980 0.61 C(NC(C1C=CC=CC=1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCN(CC1)C1C=CC=CC=1
MCULE-2514466379 0.61 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(=O)C1C=CC(=CC=1)C)C(=O)N(CC(C)C)CC(C)C
MCULE-7811319306 0.61 C1(C2=CC=CC=C2N(C)C=1)C=C(NC(C1=CC=CC=C1)=O)C(=O)N1CCCC1
MCULE-5827570167 0.61 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(C1=CC=CC=C1)=O)C(=O)N(C)CCCC
MCULE-1930686439 0.61 C1(C2=CC=CC=C2N(C)C=1C)C=C1NC(NC1=O)=O
MCULE-1929707960 0.61 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(C1=CC=CC=C1)=O)C(=O)N(CCCC)CCCC
MCULE-4570253520 0.61 C1(C2C=CC=CC=2N(CC)C=1)C=C(C(NCCC)=O)NC(=O)C1C=CC(=CC=1)C
MCULE-2307850576 0.61 C1(C2C=CC=CC=2N(CC)C=1)C=C(NC(=O)C1C=CC(=CC=1)C)C(=O)N(CCC)CCC
MCULE-1049911268 0.61 C1(C2C=CC=CC=2NC=1)C=C(C(NCCC1C=CC(=CC=1Cl)Cl)=O)NC(C1=CC=CC=C1)=O
MolPort-019-619-139 0.61 CC1CCN(CC1)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-622-497 0.61 CC1CCCN(C1)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-630-695 0.61 CN(CC1=CC=CC=C1)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-045-902-978 0.61 OC(=O)CNC(=O)C(\NC(=O)C1=CC=CC=C1)=C/C1=CNC2=CC=CC=C12
MolPort-000-790-289 0.61 CCN(CC)CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(C)C2=CC=CC=C12
MolPort-001-734-869 0.61 CC(=O)N\C(=C/C1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
MolPort-000-800-443 0.61 CCN(CC)C(=O)C(\NC(=O)C1=CC=CC=C1)=C/C1=CN(C)C2=CC=CC=C12
MolPort-019-546-021 0.61 ClC1=CC(Cl)=C(CCNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)C=C1
MolPort-007-685-959 0.61 CCN1C=C(\C=C(/NC(=O)C2=CC=C(C)C=C2)C(=O)N(CC(C)C)CC(C)C)C2=CC=CC=C12
MolPort-007-685-957 0.61 CCCN(CCC)C(=O)C(\NC(=O)C1=CC=C(C)C=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-007-685-945 0.61 CCCNC(=O)C(\NC(=O)C1=CC=C(C)C=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-019-548-520 0.61 O=C(N\C(=C/C1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C1=CC=CC=C1)C1=CC=CC=C1
MolPort-007-685-897 0.61 CCCCN(CCCC)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-007-685-896 0.61 CCCCN(C)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-001-590-432 0.61 CN1C=C(\C=C(\NC(=O)C2=CC=CC=C2)C(=O)N2CCCC2)C2=CC=CC=C12
MolPort-001-736-294 0.61 CN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCCC2)C2=CC=CC=C12
MolPort-007-685-885 0.61 CCN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NC(C)C)C2=CC=CC=C12
MolPort-001-590-462 0.60 CN1C=C(\C=C(/NC(=O)C2=CC=C(C)C=C2)C(=O)N2CCN(C)CC2)C2=CC=CC=C12
MolPort-001-590-438 0.60 CN1C=C(\C=C(\NC(=O)C2=CC=CC=C2)C(=O)NCCC2=CNC3=CC=CC=C23)C2=CC=CC=C12
MolPort-000-697-703 0.60 CN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NCCC2=CNC3=CC=CC=C23)C2=CC=CC=C12
MolPort-019-543-627 0.60 O=C(NC1CCCCC1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-628-085 0.60 CC1CCCCN1C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-548-475 0.60 O=C(NC1CCCCCCC1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-002-911-813 0.60 CC(=O)N1CC(=O)N\C(=C/C2=CC=CN=C2)C1=O
MolPort-007-685-893 0.60 CCN(CC)CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-007-685-899 0.60 CCN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCCC2)C2=CC=CC=C12
MolPort-019-546-065 0.60 COC1=C(CCNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)C=CC=C1
MolPort-019-555-696 0.60 CC1=CC=C(CNC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CNC3=CC=CC=C23)C=C1
MolPort-019-597-851 0.60 O=C(NCCCN1CCCC1=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-562-006 0.60 NC1=CC=CC=C1CNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-001-736-296 0.60 CN1C=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NCCC2=CNC3=CC=C(C)C=C23)C2=CC=CC=C12
MolPort-007-685-894 0.60 CCN(CC)C(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(CC)C2=CC=CC=C12
MolPort-019-553-313 0.60 CCOCCCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-607-329 0.60 CC1CCCCC1NC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MolPort-019-617-259 0.60 O=C(NC1CCCCCC1)C(\NC(=O)C1=CC=CC=C1)=C\C1=CNC2=CC=CC=C12
MCULE-9388585634 0.60 C1(C2=CC=CC=C2N(C)C=1)C=C(NC(=O)C1=CC=C(C=C1)C)C(=O)N1CCN(CC1)C
MCULE-1281997799 0.60 C1(C2=CC=CC=C2N(C)C=1)C=C(C(NCCC1C2C=CC=CC=2NC=1)=O)NC(C1C=CC=CC=1)=O
MCULE-5037348184 0.60 C(NC(C1C=CC=CC=1)=O)(C(=O)NC1CCCCC1)=CC1C2C=CC=CC=2NC=1
MCULE-9686693177 0.60 C(NC(C1C=CC=CC=1)=O)(C(=O)NC1CCCCCCC1)=CC1C2C=CC=CC=2NC=1
MCULE-3432778342 0.60 C(NC(C1=CC=CC=C1)=O)(=CC1C2C=CC=CC=2NC=1)C(=O)N1CCCCC1C
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