General Information of the Compound
| Compound ID |
CP0877214
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| Compound Name |
6-(4-chloro-2-methoxybenzoyl)-3-methoxy-2-[(S)-1-(4-trifluoromethylphenyl)ethylaminol-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H24ClF3N4O4
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| Molecular Weight |
536.938
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| Canonical SMILES |
COc1cc(Cl)ccc1C(=O)N1CCc2nc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)n(OC)c(=O)c2C1
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| InChI |
InChI=1S/C25H24ClF3N4O4/c1-14(15-4-6-16(7-5-15)25(27,28)29)30-24-31-20-10-11-32(13-19(20)23(35)33(24)37-3)22(34)18-9-8-17(26)12-21(18)36-2/h4-9,12,14H,10-11,13H2,1-3H3,(H,30,31)/t14-/m0/s1
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| InChIKey |
WWYPZAXBISKTNF-AWEZNQCLSA-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