General Information of the Compound
| Compound ID |
CP0117825
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[5-(6-methoxypyridin-3-yl)-1H-pyrazol-3-yl]urea
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| Structure |
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| Formula |
C24H27N7O2
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| Molecular Weight |
445.527
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| Canonical SMILES |
COc1ccc(cn1)-c1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)[nH]n1
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| InChI |
InChI=1S/C24H27N7O2/c1-15-6-9-17(10-7-15)31-21(13-19(30-31)24(2,3)4)27-23(32)26-20-12-18(28-29-20)16-8-11-22(33-5)25-14-16/h6-14H,1-5H3,(H3,26,27,28,29,32)
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| InChIKey |
FABCYRRRMWWGRH-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