General Information of the Compound
| Compound ID |
CP0205635
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| Compound Name |
1-[2-(2-tert-butylphenyl)sulfanylpyridin-3-yl]-3-(4-methylphenyl)urea
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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 |
Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
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| InChI |
InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
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| InChIKey |
VZYJPMFMCIMJOD-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
Protein ID: PT01877, P2Y purinoceptor 1
Protein ID: PT02449, P2Y purinoceptor 12