General Information of the Compound
| Compound ID |
CP0576631
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| Compound Name |
1-[[2-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
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| Formula |
C21H19F3N6O
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| Molecular Weight |
428.418
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| Canonical SMILES |
Cc1ccc(cc1C)-n1nc(cc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N6O/c1-12-6-7-14(8-13(12)2)30-15(9-19(29-30)21(22,23)24)10-25-20(31)27-17-4-3-5-18-16(17)11-26-28-18/h3-9,11H,10H2,1-2H3,(H,26,28)(H2,25,27,31)
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| InChIKey |
PKILPIWVWRYBRE-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