General Information of the Compound
| Compound ID |
CP0576632
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| Compound Name |
1-[[5-tert-butyl-2-(3,4-difluorophenyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
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| Formula |
C22H22F2N6O
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| Molecular Weight |
424.455
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H22F2N6O/c1-22(2,3)20-10-14(30(29-20)13-7-8-16(23)17(24)9-13)11-25-21(31)27-18-5-4-6-19-15(18)12-26-28-19/h4-10,12H,11H2,1-3H3,(H,26,28)(H2,25,27,31)
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| InChIKey |
KRLAYTALCWVMAB-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