General Information of the Compound
| Compound ID |
CP0440263
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| Compound Name |
2-[4-(3-acetylanilino)pyrimidin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone
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| Structure |
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| Formula |
C20H16ClN3O2S
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| Molecular Weight |
397.887
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| Canonical SMILES |
CC(=O)c1cccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)c1
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| InChI |
InChI=1S/C20H16ClN3O2S/c1-13(25)15-3-2-4-17(11-15)23-19-9-10-22-20(24-19)27-12-18(26)14-5-7-16(21)8-6-14/h2-11H,12H2,1H3,(H,22,23,24)
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| InChIKey |
OVPIWMWOQCUHCR-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