| PDB CCD ID: | X9P |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C30 H34 N8 O2 |
| InChI: | InChI=1S/C30H34N8O2/c1-16(2)38-17(3)22(15-32-38)25-34-24-21(12-13-31-26(24)35-25)19-10-11-20-18(14-19)8-7-9-23(20)33-27(39)28-36-29(37-40-28)30(4,5)6/h10-16,23H,7-9H2,1-6H3,(H,33,39)(H,31,34,35)/t23-/m0/s1 |
| InChIKey: | YHVGIUIWPVYQHA-QHCPKHFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)n1ncc(c1C)c2[nH]c3c(nccc3c4ccc5[C@H](CCCc5c4)NC(=O)c6onc(n6)C(C)(C)C)n2 | | ACDLabs 12.01 | C(c1nc(no1)C(C)(C)C)(=O)NC2CCCc6c2ccc(c3ccnc4c3nc(n4)c5c(C)n(nc5)C(C)C)c6 | | CACTVS 3.385 | CC(C)n1ncc(c1C)c2[nH]c3c(nccc3c4ccc5[CH](CCCc5c4)NC(=O)c6onc(n6)C(C)(C)C)n2 | | OpenEye OEToolkits 2.0.7 | Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C | | OpenEye OEToolkits 2.0.7 | Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCCC5NC(=O)c6nc(no6)C(C)(C)C |
|
| Name: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide |
| ChEMBL: | CHEMBL4857459 |
