General Information of the Compound
| Compound ID |
CP0226718
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| Compound Name |
1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
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| Structure |
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| Formula |
C21H16F3N5O
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| Molecular Weight |
411.387
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(c23)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H16F3N5O/c1-12-3-2-4-15(11-12)27-20(30)26-14-7-5-13(6-8-14)16-9-10-25-19-17(16)18(28-29-19)21(22,23)24/h2-11H,1H3,(H,25,28,29)(H2,26,27,30)
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| InChIKey |
HAIFKHTXBPIOKM-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