General Information of the Compound
| Compound ID |
CP0560199
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| Compound Name |
1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1-methylindazol-4-yl)urea
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| Structure |
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| Formula |
C20H16ClF3N6O
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| Molecular Weight |
448.836
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| Canonical SMILES |
Cn1ncc2c(NC(=O)NCc3cc(nn3-c3cccc(Cl)c3)C(F)(F)F)cccc12
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| InChI |
InChI=1S/C20H16ClF3N6O/c1-29-17-7-3-6-16(15(17)11-26-29)27-19(31)25-10-14-9-18(20(22,23)24)28-30(14)13-5-2-4-12(21)8-13/h2-9,11H,10H2,1H3,(H2,25,27,31)
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| InChIKey |
OPQBXYLHKFNWJH-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