General Information of the Compound
| Compound ID |
CP0880949
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| Compound Name |
6-(4-chlorobenzoyl)-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 |
C24H23Cl2F3N4O3
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| Molecular Weight |
543.373
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
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| InChI |
InChI=1S/C24H22ClF3N4O3.ClH/c1-14(15-3-7-17(8-4-15)24(26,27)28)29-23-30-20-11-12-31(13-19(20)22(34)32(23)35-2)21(33)16-5-9-18(25)10-6-16;/h3-10,14H,11-13H2,1-2H3,(H,29,30);1H/t14-;/m0./s1
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| InChIKey |
GZYNJVMETMJIOC-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