Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)C(O)C(=O)Nc1ccc(c2cn(C)c3nc(C)nc(N)c32)c(C)c1 |
InChI | InChI | 1.06 | InChI=1S/C23H22FN5O2/c1-12-9-16(28-23(31)20(30)14-5-4-6-15(24)10-14)7-8-17(12)18-11-29(3)22-19(18)21(25)26-13(2)27-22/h4-11,20,30H,1-3H3,(H,28,31)(H2,25,26,27)/t20-/m1/s1 |
InChIKey | InChI | 1.06 | NZUZHCPIKAILKT-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c2ccc(NC(=O)[C@H](O)c3cccc(F)c3)cc2C)c4c(N)nc(C)nc14 |
SMILES | CACTVS | 3.385 | Cn1cc(c2ccc(NC(=O)[CH](O)c3cccc(F)c3)cc2C)c4c(N)nc(C)nc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2cn(c3c2c(nc(n3)C)N)C)NC(=O)[C@@H](c4cccc(c4)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2cn(c3c2c(nc(n3)C)N)C)NC(=O)C(c4cccc(c4)F)O |