General Information of the Compound
| Compound ID |
CP0153309
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| Compound Name |
1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H16F4N6O
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| Molecular Weight |
444.392
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| Canonical SMILES |
Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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| InChIKey |
BKNCGPOLFDJCQN-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