Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc3ccc2C(=O)N(Cc1n(nc(c1c4cc(OC(c2c3)C)c(nc4)N)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | ASQDMAQHZGURLM-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Oc2cc(cnc2N)c3c(C)nn(C)c3CN(C)C(=O)c4ccc(F)cc14 |
SMILES | CACTVS | 3.385 | C[CH]1Oc2cc(cnc2N)c3c(C)nn(C)c3CN(C)C(=O)c4ccc(F)cc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3C(Oc4cc2cnc4N)C)F)C |