General Information of the Compound
| Compound ID |
CP0307437
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| Compound Name |
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-thiophen-3-ylurea
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| Structure |
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| Formula |
C17H14N6OS
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| Molecular Weight |
350.407
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| Canonical SMILES |
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
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| InChI |
InChI=1S/C17H14N6OS/c18-15-14-13(5-7-19-16(14)23-22-15)10-1-3-11(4-2-10)20-17(24)21-12-6-8-25-9-12/h1-9H,(H2,20,21,24)(H3,18,19,22,23)
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| InChIKey |
HVCRUBIPZYUNIZ-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