General Information of the Compound
| Compound ID |
CP0375312
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| Compound Name |
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-methyl-4-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C24H19ClN2O2S
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| Molecular Weight |
434.948
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| Canonical SMILES |
Cc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O
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| InChI |
InChI=1S/C24H19ClN2O2S/c1-15-21(13-18-7-4-6-16-5-2-3-8-20(16)18)26-24(27-23(15)29)30-14-22(28)17-9-11-19(25)12-10-17/h2-12H,13-14H2,1H3,(H,26,27,29)
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| InChIKey |
CFFFHVMLJMFGFZ-UHFFFAOYSA-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