General Information of the Compound
| Compound ID |
CP0488026
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| Compound Name |
2-[4-(3-acetylanilino)pyrimidin-2-yl]sulfanyl-1-(4-phenylphenyl)ethanone
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| Structure |
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| Formula |
C26H21N3O2S
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| Molecular Weight |
439.54
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| Canonical SMILES |
CC(=O)c1cccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)c1
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| InChI |
InChI=1S/C26H21N3O2S/c1-18(30)22-8-5-9-23(16-22)28-25-14-15-27-26(29-25)32-17-24(31)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,27,28,29)
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| InChIKey |
SNPFPOUPMSCYIA-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