General Information of the Compound
| Compound ID |
CP0037313
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| Compound Name |
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C20H18N6O
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| Molecular Weight |
358.405
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)cc1
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| InChI |
InChI=1S/C20H18N6O/c1-12-2-6-14(7-3-12)23-20(27)24-15-8-4-13(5-9-15)16-10-11-22-19-17(16)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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| InChIKey |
PXYBCAFIJPPBEQ-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