General Information of the Compound
| Compound ID |
CP0487426
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| Compound Name |
1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1-oxo-2H-isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C21H15ClF3N5O2
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| Molecular Weight |
461.831
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)Nc2cccc3c2cc[nH]c3=O)n(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H15ClF3N5O2/c22-12-3-1-4-13(9-12)30-14(10-18(29-30)21(23,24)25)11-27-20(32)28-17-6-2-5-16-15(17)7-8-26-19(16)31/h1-10H,11H2,(H,26,31)(H2,27,28,32)
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| InChIKey |
IMADJLCKZYXRAK-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