General Information of the Compound
| Compound ID |
CP0370678
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| Compound Name |
5-chloranyl-2-ethylsulfonyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C19H23ClN4O5S2
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| Molecular Weight |
487.003
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| Canonical SMILES |
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
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| InChI |
InChI=1S/C19H23ClN4O5S2/c1-3-30(26,27)19-21-12-16(20)17(23-19)18(25)22-14-4-6-15(7-5-14)31(28,29)24-10-8-13(2)9-11-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
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| InChIKey |
REMLTJGOONPABB-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