Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33) |
InChIKey | InChI | 1.03 | YAPSKJOBRAWBJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(c2nc(nc(n2)N3CCN(CC3)C(=O)CNC(=O)C4CCN(CC4)C(=O)C=C)N5CCOCC5)c(n1)C(F)F |
SMILES | CACTVS | 3.385 | Nc1ncc(c2nc(nc(n2)N3CCN(CC3)C(=O)CNC(=O)C4CCN(CC4)C(=O)C=C)N5CCOCC5)c(n1)C(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N |
SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N |