General Information of the Compound
| Compound ID |
CP0947119
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| Compound Name |
6-(4-cyano-2-fluorobenzoyl)-3-methoxy-2-(S)-{1-[4-(trifluoromethyl)phenyl]ethylamino}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-(3H)-one hydrochloride
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| Structure |
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| Formula |
C25H22ClF4N5O3
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| Molecular Weight |
551.928
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl
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| InChI |
InChI=1S/C25H21F4N5O3.ClH/c1-14(16-4-6-17(7-5-16)25(27,28)29)31-24-32-21-9-10-33(13-19(21)23(36)34(24)37-2)22(35)18-8-3-15(12-30)11-20(18)26;/h3-8,11,14H,9-10,13H2,1-2H3,(H,31,32);1H/t14-;/m0./s1
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| InChIKey |
VBWKFAXAWXUSQQ-UQKRIMTDSA-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