General Information of the Compound
| Compound ID |
CP0433936
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| Compound Name |
1-[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-3-phenylthiourea
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| Structure |
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| Formula |
C23H25N3OS
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| Molecular Weight |
391.54
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=S)Nc2ccccc2)c1Cc1cccc(C)c1
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| InChI |
InChI=1S/C23H25N3OS/c1-4-19-16(3)24-22(27)21(20(19)14-17-10-8-9-15(2)13-17)26-23(28)25-18-11-6-5-7-12-18/h5-13H,4,14H2,1-3H3,(H,24,27)(H2,25,26,28)
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| InChIKey |
JCWPMVZXLZRWNH-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