General Information of the Compound
| Compound ID |
CP0203048
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| Compound Name |
1-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-phenylpropyl)urea
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| Structure |
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| Formula |
C23H23N5O
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| Molecular Weight |
385.471
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| Canonical SMILES |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCCc4ccccc4)cc3)c12
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| InChI |
InChI=1S/C23H23N5O/c1-16-21-20(13-15-24-22(21)28-27-16)18-9-11-19(12-10-18)26-23(29)25-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-13,15H,5,8,14H2,1H3,(H,24,27,28)(H2,25,26,29)
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| InChIKey |
TXEBERLYUZPASZ-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