General Information of the Compound
| Compound ID |
CP0461460
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| Compound Name |
5-chloranyl-N-(2,6-dimethylphenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C21H20ClN3O3S
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| Molecular Weight |
429.929
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| Canonical SMILES |
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2c(C)cccc2C)c1
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| InChI |
InChI=1S/C21H20ClN3O3S/c1-13-6-4-9-16(10-13)12-29(27,28)21-23-11-17(22)19(25-21)20(26)24-18-14(2)7-5-8-15(18)3/h4-11H,12H2,1-3H3,(H,24,26)
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| InChIKey |
LQANTQXSGUSGAZ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3