| PDB CCD ID: | C5V |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C24 H19 N3 O3 |
| InChI: | InChI=1S/C24H19N3O3/c28-22(21-12-20(21)16-4-3-11-25-13-16)26-17-9-7-15(8-10-17)14-27-23(29)18-5-1-2-6-19(18)24(27)30/h1-11,13,20-21H,12,14H2,(H,26,28)/t20-,21+/m1/s1 |
| InChIKey: | ZFFWKXDUNGUFER-RTWAWAEBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]4C[C@@H]4c5cccnc5 | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5 | | CACTVS 3.385 | O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[CH]4C[CH]4c5cccnc5 | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)C4CC4c5cccnc5 | | ACDLabs 12.01 | C(c3ccc(NC(C1CC1c2cnccc2)=O)cc3)N4C(c5c(C4=O)cccc5)=O |
|
| Name: | (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide |
| ChEMBL: | CHEMBL4205098 |
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