Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(COc2cccc(n2)C2CCN(Cc3nc4ccc(cc4n3Cc3cncn3CC)C(=O)O)CC2)c(F)c1 |
InChI | InChI | 1.03 | InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) |
InChIKey | InChI | 1.03 | IFXPEJAGKQFBER-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1cncc1Cn2c(CN3CCC(CC3)c4cccc(OCc5ccc(F)cc5F)n4)nc6ccc(cc26)C(O)=O |
SMILES | CACTVS | 3.385 | CCn1cncc1Cn2c(CN3CCC(CC3)c4cccc(OCc5ccc(F)cc5F)n4)nc6ccc(cc26)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1cncc1Cn2c3cc(ccc3nc2CN4CCC(CC4)c5cccc(n5)OCc6ccc(cc6F)F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCn1cncc1Cn2c3cc(ccc3nc2CN4CCC(CC4)c5cccc(n5)OCc6ccc(cc6F)F)C(=O)O |