XFB
Summary
| Name: | SKI-O-592 |
| Synonyms: | cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4S)-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
| Formula: | C25 H27 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 473.527 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4~{S})-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | YCZUBLQESBVOSH-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(=O)C2CC2)c3cc(Nc4nccc(n4)n5cc(CN6C[C@H](O)CO6)c(C)n5)ccc13 |
| SMILES | CACTVS | 3.385 | Cn1cc(C(=O)C2CC2)c3cc(Nc4nccc(n4)n5cc(CN6C[CH](O)CO6)c(C)n5)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6C[C@@H](CO6)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6CC(CO6)O |
