General Information of the Compound
| Compound ID |
CP0255485
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| Compound Name |
6-tert-butylsulfonyl-N-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-4-amine
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| Structure |
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| Formula |
C19H18FN5O2S
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| Molecular Weight |
399.451
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ncc(F)cc34)c2c1
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| InChI |
InChI=1S/C19H18FN5O2S/c1-19(2,3)28(26,27)12-4-5-15-13(9-12)16(6-7-21-15)23-18-14-8-11(20)10-22-17(14)24-25-18/h4-10H,1-3H3,(H2,21,22,23,24,25)
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| InChIKey |
PMBRUJZGSHBGAZ-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