FZC
Summary
| Name: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine |
| Formula: | C25 H26 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 463.959 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H26ClN5O2/c1-14-8-9-28-25(29-14)33-19-6-7-20(21(26)13-19)16-10-22-24(15(2)30-31-22)23(11-16)32-18-5-3-4-17(27)12-18/h6-11,13,17-18H,3-5,12,27H2,1-2H3,(H,30,31)/t17-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | NKDAXLGSBPGRHC-MSOLQXFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccnc(Oc2ccc(c(Cl)c2)c3cc4[nH]nc(C)c4c(O[C@H]5CCC[C@@H](N)C5)c3)n1 |
| SMILES | CACTVS | 3.385 | Cc1ccnc(Oc2ccc(c(Cl)c2)c3cc4[nH]nc(C)c4c(O[CH]5CCC[CH](N)C5)c3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(n1)Oc2ccc(c(c2)Cl)c3cc4c(c(n[nH]4)C)c(c3)O[C@H]5CCC[C@H](C5)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(n1)Oc2ccc(c(c2)Cl)c3cc4c(c(n[nH]4)C)c(c3)OC5CCCC(C5)N |
