General Information of the Compound
| Compound ID |
CP0850610
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| Compound Name |
4-{3-morpholin-4-yl-4-oxo-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-3,5,7,8-tetrahydro-4H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile hydrochloride
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| Structure |
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| Formula |
C28H28ClF3N6O3
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| Molecular Weight |
589.018
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| Canonical SMILES |
C[C@H](Nc1nc2c(c(=O)n1N1CCOCC1)CN(C(=O)c1ccc(C#N)cc1)CC2)c1ccc(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C28H27F3N6O3.ClH/c1-18(20-6-8-22(9-7-20)28(29,30)31)33-27-34-24-10-11-35(25(38)21-4-2-19(16-32)3-5-21)17-23(24)26(39)37(27)36-12-14-40-15-13-36;/h2-9,18H,10-15,17H2,1H3,(H,33,34);1H/t18-;/m0./s1
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| InChIKey |
OHAABHVUZHEBAH-FERBBOLQSA-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