PDB CCD ID: | 33C |
Number of entries in BioLiP: | 4 |
Chemical formula: | C25 H21 N3 O3 |
InChI: | InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+ |
InChIKey: | LFGACFGWTJMDPZ-ALFLXDJESA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.9.2 | c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)C5C6CCC(C6)C5C4=O | OpenEye OEToolkits 1.9.2 | c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O | CACTVS 3.385 | O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O | ACDLabs 12.01 | O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4CC(CC4)C6C5=O | CACTVS 3.385 | O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[CH]5[CH]6CC[CH](C6)[CH]5C4=O |
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Name: | 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide |
ChEMBL: | CHEMBL1956162 |
ZINC: | ZINC000073298514 |