General Information of the Compound
| Compound ID |
CP0365740
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| Compound Name |
2-[4-(3-acetylanilino)pyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
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| Structure |
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| Formula |
C21H19N3O3S
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| Molecular Weight |
393.468
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CSc1nccc(Nc2cccc(c2)C(C)=O)n1
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| InChI |
InChI=1S/C21H19N3O3S/c1-14(25)16-4-3-5-17(12-16)23-20-10-11-22-21(24-20)28-13-19(26)15-6-8-18(27-2)9-7-15/h3-12H,13H2,1-2H3,(H,22,23,24)
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| InChIKey |
PGLAZEBVAITZDJ-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