General Information of the Compound
| Compound ID |
CP0562788
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| Compound Name |
1-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1CNC(=O)Nc1cccc2[nH]ncc12)C(C)(C)C
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| InChI |
InChI=1S/C23H26N6O2/c1-23(2,3)21-12-16(29(28-21)15-8-10-17(31-4)11-9-15)13-24-22(30)26-19-6-5-7-20-18(19)14-25-27-20/h5-12,14H,13H2,1-4H3,(H,25,27)(H2,24,26,30)
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| InChIKey |
SSLOCBZSJSUZGE-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