General Information of the Compound
| Compound ID |
CP0571382
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| Compound Name |
1-[[5-tert-butyl-2-(4-tert-butylphenyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
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| Formula |
C26H32N6O
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| Molecular Weight |
444.583
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C26H32N6O/c1-25(2,3)17-10-12-18(13-11-17)32-19(14-23(31-32)26(4,5)6)15-27-24(33)29-21-8-7-9-22-20(21)16-28-30-22/h7-14,16H,15H2,1-6H3,(H,28,30)(H2,27,29,33)
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| InChIKey |
AUHDHFWYGJAMHY-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