General Information of the Compound
| Compound ID |
CP0958520
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| Compound Name |
3-dimethylamino-6-(2,4,6-trifluorobenzoyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
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| Structure |
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| Formula |
C25H24ClF6N5O2
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| Molecular Weight |
575.941
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| Canonical SMILES |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1c(F)cc(F)cc1F)CC2)c1ccc(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C25H23F6N5O2.ClH/c1-13(14-4-6-15(7-5-14)25(29,30)31)32-24-33-20-8-9-35(12-17(20)22(37)36(24)34(2)3)23(38)21-18(27)10-16(26)11-19(21)28;/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,32,33);1H/t13-;/m0./s1
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| InChIKey |
KWMQFNWGZLXEOY-ZOWNYOTGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound