General Information of the Compound
| Compound ID |
CP0215415
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| Compound Name |
4-[[4-[(2,6-dichlorophenyl)methyl]-5-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]benzonitrile
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| Structure |
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| Formula |
C19H13Cl2N3OS
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| Molecular Weight |
402.306
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| Canonical SMILES |
Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(cc2)C#N)[nH]c1=O
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| InChI |
InChI=1S/C19H13Cl2N3OS/c1-11-17(9-14-15(20)3-2-4-16(14)21)23-19(24-18(11)25)26-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H,23,24,25)
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| InChIKey |
JCHLEEJXVKVOGE-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