Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c6c3c(n(c(c1ccc(nc1)n2nccc2)n3)C(C4CCCCC4)C(=O)NC5CCCCC5)cc(c6F)F |
InChI | InChI | 1.03 | InChI=1S/C29H32F2N6O/c30-22-16-24-25(17-23(22)31)37(28(35-24)20-12-13-26(32-18-20)36-15-7-14-33-36)27(19-8-3-1-4-9-19)29(38)34-21-10-5-2-6-11-21/h7,12-19,21,27H,1-6,8-11H2,(H,34,38)/t27-/m0/s1 |
InChIKey | InChI | 1.03 | BAGJAPIDXZLKQM-MHZLTWQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2nc(n([C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c2cc1F)c5ccc(nc5)n6cccn6 |
SMILES | CACTVS | 3.385 | Fc1cc2nc(n([CH](C3CCCCC3)C(=O)NC4CCCCC4)c2cc1F)c5ccc(nc5)n6cccn6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3C(C5CCCCC5)C(=O)NC6CCCCC6)F)F |