General Information of the Compound
| Compound ID |
CP0176840
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| Compound Name |
4-[5-(2-chloro-6-fluoroanilino)-6-methylpyrazolo[3,4-b]pyridin-1-yl]-N-methylthiophene-2-carboxamide
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| Structure |
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| Formula |
C19H15ClFN5OS
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| Molecular Weight |
415.881
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| Canonical SMILES |
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(C)nc12
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| InChI |
InChI=1S/C19H15ClFN5OS/c1-10-15(25-17-13(20)4-3-5-14(17)21)6-11-8-23-26(18(11)24-10)12-7-16(28-9-12)19(27)22-2/h3-9,25H,1-2H3,(H,22,27)
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| InChIKey |
BQHWGFRFUSNBMX-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