General Information of the Compound
| Compound ID |
CP0867896
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| Compound Name |
3-fluoro-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 |
C28H27ClF4N6O3
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| Molecular Weight |
607.008
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| Canonical SMILES |
C[C@H](Nc1nc2c(c(=O)n1N1CCOCC1)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C28H26F4N6O3.ClH/c1-17(19-3-5-20(6-4-19)28(30,31)32)34-27-35-24-8-9-36(25(39)21-7-2-18(15-33)14-23(21)29)16-22(24)26(40)38(27)37-10-12-41-13-11-37;/h2-7,14,17H,8-13,16H2,1H3,(H,34,35);1H/t17-;/m0./s1
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| InChIKey |
QJPOHXVSJHRSQM-LMOVPXPDSA-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