General Information of the Compound
| Compound ID |
CP0176871
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| Compound Name |
4-[5-(2-chloroanilino)pyrazolo[3,4-b]pyridin-1-yl]-N-methylthiophene-2-carboxamide
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| Structure |
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| Formula |
C18H14ClN5OS
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| Molecular Weight |
383.864
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| Canonical SMILES |
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)cnc12
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| InChI |
InChI=1S/C18H14ClN5OS/c1-20-18(25)16-7-13(10-26-16)24-17-11(8-22-24)6-12(9-21-17)23-15-5-3-2-4-14(15)19/h2-10,23H,1H3,(H,20,25)
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| InChIKey |
TUFAYPAXFHVGTH-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