General Information of the Compound
| Compound ID |
CP0168491
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| Compound Name |
4-[[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyrimidin-4-yl]amino]benzoic acid
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| Structure |
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| Formula |
C25H19N3O3S
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| Molecular Weight |
441.512
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| Canonical SMILES |
OC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
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| InChI |
InChI=1S/C25H19N3O3S/c29-22(19-8-6-18(7-9-19)17-4-2-1-3-5-17)16-32-25-26-15-14-23(28-25)27-21-12-10-20(11-13-21)24(30)31/h1-15H,16H2,(H,30,31)(H,26,27,28)
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| InChIKey |
SMLXCUULIBNDBT-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