General Information of the Compound
| Compound ID |
CP0125189
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| Compound Name |
5-chloranyl-2-methylsulfonyl-N-naphthalen-2-yl-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C16H12ClN3O3S
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| Molecular Weight |
361.81
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| Canonical SMILES |
CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc2ccccc2c1
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| InChI |
InChI=1S/C16H12ClN3O3S/c1-24(22,23)16-18-9-13(17)14(20-16)15(21)19-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,19,21)
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| InChIKey |
FCEVPKDAWILUQM-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8