General Information of the Compound
| Compound ID |
CP0168493
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| Compound Name |
ethyl 4-[[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyrimidin-4-yl]amino]benzoate
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| Structure |
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| Formula |
C27H23N3O3S
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| Molecular Weight |
469.566
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| Canonical SMILES |
CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
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| InChI |
InChI=1S/C27H23N3O3S/c1-2-33-26(32)22-12-14-23(15-13-22)29-25-16-17-28-27(30-25)34-18-24(31)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-17H,2,18H2,1H3,(H,28,29,30)
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| InChIKey |
GNBVSZKQRSJIGX-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