General Information of the Compound
| Compound ID |
CP0205730
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| Compound Name |
1-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-quinolin-3-ylurea
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| Structure |
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| Formula |
C23H18N6O
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| Molecular Weight |
394.438
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| Canonical SMILES |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cnc5ccccc5c4)cc3)c12
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| InChI |
InChI=1S/C23H18N6O/c1-14-21-19(10-11-24-22(21)29-28-14)15-6-8-17(9-7-15)26-23(30)27-18-12-16-4-2-3-5-20(16)25-13-18/h2-13H,1H3,(H,24,28,29)(H2,26,27,30)
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| InChIKey |
FRGHNLRLGIIDDA-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