| PDB CCD ID: | DWM |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C28 H28 F N5 O3 |
| InChI: | InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18-/m1/s1 |
| InChIKey: | IVFDDVKCCBDPQZ-QZTJIDSGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c4[C@H](C)CN(Cc24)C(=O)c5[nH]ccc5)c1 | | OpenEye OEToolkits 2.0.6 | CC1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)C(C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 | | CACTVS 3.385 | C[CH](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c4[CH](C)CN(Cc24)C(=O)c5[nH]ccc5)c1 | | OpenEye OEToolkits 2.0.6 | C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 | | ACDLabs 12.01 | n4c(C(Nc1cccc(c1)C(C)O)=O)c3CN(C(c2cccn2)=O)CC(c3n4Cc5ccc(F)cc5)C |
|
| Name: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide |
| ChEMBL: | CHEMBL4515358 |
