General Information of the Compound
| Compound ID |
CP0158854
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| Compound Name |
6-(2-chlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C34H40ClN7O2
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| Molecular Weight |
614.194
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| Canonical SMILES |
CCC(=O)N1CCC[C@@H](C1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c(C)c(-c2ccccc2Cl)c1=O
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| InChI |
InChI=1S/C34H40ClN7O2/c1-5-30(43)41-14-8-9-25(21-41)42-32-27(23(3)31(33(42)44)26-10-6-7-11-28(26)35)20-36-34(38-32)37-24-12-13-29(22(2)19-24)40-17-15-39(4)16-18-40/h6-7,10-13,19-20,25H,5,8-9,14-18,21H2,1-4H3,(H,36,37,38)/t25-/m0/s1
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| InChIKey |
KWTQNPKOKNNKGT-VWLOTQADSA-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