General Information of the Compound
| Compound ID |
CP0568156
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| Compound Name |
1-[[5-tert-butyl-2-(4-tert-butylphenyl)pyrazol-3-yl]methyl]-3-(1-methylindazol-4-yl)urea
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| Formula |
C27H34N6O
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| Molecular Weight |
458.61
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| Canonical SMILES |
Cn1ncc2c(NC(=O)NCc3cc(nn3-c3ccc(cc3)C(C)(C)C)C(C)(C)C)cccc12
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| InChI |
InChI=1S/C27H34N6O/c1-26(2,3)18-11-13-19(14-12-18)33-20(15-24(31-33)27(4,5)6)16-28-25(34)30-22-9-8-10-23-21(22)17-29-32(23)7/h8-15,17H,16H2,1-7H3,(H2,28,30,34)
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| InChIKey |
OBQJXDFUIIBWHC-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