| PDB CCD ID: | 1K2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H20 Cl N3 O2 |
| InChI: | InChI=1S/C24H20ClN3O2/c25-19-9-15(14-30-20-11-17-6-7-26-23(17)27-13-20)8-18(10-19)24(29)28-22-12-21(22)16-4-2-1-3-5-16/h1-11,13,21-22H,12,14H2,(H,26,27)(H,28,29)/t21-,22+/m0/s1 |
| InChIKey: | GICBMJSVILMECB-FCHUYYIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@@H]2C[C@H]2NC(=O)c3cc(cc(c3)Cl)COc4cc5cc[nH]c5nc4 | | CACTVS 3.385 | Clc1cc(COc2cnc3[nH]ccc3c2)cc(c1)C(=O)N[C@@H]4C[C@H]4c5ccccc5 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2CC2NC(=O)c3cc(cc(c3)Cl)COc4cc5cc[nH]c5nc4 | | CACTVS 3.385 | Clc1cc(COc2cnc3[nH]ccc3c2)cc(c1)C(=O)N[CH]4C[CH]4c5ccccc5 | | ACDLabs 12.01 | O=C(NC1CC1c1ccccc1)c1cc(cc(Cl)c1)COc1cc2cc[NH]c2nc1 |
|
| Name: | 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide |
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