General Information of the Compound
| Compound ID |
CP0358944
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| Compound Name |
5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C19H15ClFN3O3S
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| Molecular Weight |
419.865
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| Canonical SMILES |
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C19H15ClFN3O3S/c1-12-3-2-4-13(9-12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)
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| InChIKey |
ITASSEXAPRJURO-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
Protein ID: PT06124, Paired box protein Pax-8