General Information of the Compound
| Compound ID |
CP0850660
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| Compound Name |
(S)-6-(4-chlorobenzoyl)-3-ethoxy-2-(1-(4-(trifluoromethyl)phenyl)ethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H24ClF3N4O3
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| Molecular Weight |
520.939
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| Canonical SMILES |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
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| InChI |
InChI=1S/C25H24ClF3N4O3/c1-3-36-33-23(35)20-14-32(22(34)17-6-10-19(26)11-7-17)13-12-21(20)31-24(33)30-15(2)16-4-8-18(9-5-16)25(27,28)29/h4-11,15H,3,12-14H2,1-2H3,(H,30,31)/t15-/m0/s1
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| InChIKey |
UGYLMEUHQNXYJB-HNNXBMFYSA-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