General Information of the Compound
| Compound ID |
CP0554898
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| Compound Name |
1-(1H-indazol-4-yl)-3-[[2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]urea
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| Formula |
C22H21F3N6O
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| Molecular Weight |
442.445
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| Canonical SMILES |
CC(C)c1ccc(cc1)-n1nc(cc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N6O/c1-13(2)14-6-8-15(9-7-14)31-16(10-20(30-31)22(23,24)25)11-26-21(32)28-18-4-3-5-19-17(18)12-27-29-19/h3-10,12-13H,11H2,1-2H3,(H,27,29)(H2,26,28,32)
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| InChIKey |
BPRAOFLELDIPLP-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