| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc3ccc2C(=O)N(Cc1n(nc(c1c4cc(OC(c2c3)C)c(nc4)N)C5CC5)C)C |
| InChI | InChI | 1.03 | InChI=1S/C23H24FN5O2/c1-12-17-9-15(24)6-7-16(17)23(30)28(2)11-18-20(21(13-4-5-13)27-29(18)3)14-8-19(31-12)22(25)26-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | SBEYSILWLYDNSN-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)n(C)nc3C5CC5 |
| SMILES | CACTVS | 3.385 | C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)n(C)nc3C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F |
