General Information of the Compound
| Compound ID |
CP0896785
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| Compound Name |
6-(4-chlorobenzoyl)-2-((S)-1-cyclohexyl-ethylamino)-3-methoxy-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H29ClN4O3
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| Molecular Weight |
444.963
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| Canonical SMILES |
COn1c(N[C@@H](C)C2CCCCC2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
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| InChI |
InChI=1S/C23H29ClN4O3/c1-15(16-6-4-3-5-7-16)25-23-26-20-12-13-27(14-19(20)22(30)28(23)31-2)21(29)17-8-10-18(24)11-9-17/h8-11,15-16H,3-7,12-14H2,1-2H3,(H,25,26)/t15-/m0/s1
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| InChIKey |
BSLCHRBQEGZFJB-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