General Information of the Compound
| Compound ID |
CP0375296
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| Compound Name |
5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(methylsulfonyl)-4-pyrimidinecarboxamide
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| Structure |
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| Formula |
C13H10ClF2N3O4S
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| Molecular Weight |
377.756
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| Canonical SMILES |
CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C13H10ClF2N3O4S/c1-24(21,22)13-17-6-9(14)10(19-13)11(20)18-7-2-4-8(5-3-7)23-12(15)16/h2-6,12H,1H3,(H,18,20)
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| InChIKey |
UTVPLVUQRIIVPD-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: PT06101, Latent membrane protein 1