General Information of the Compound
| Compound ID |
CP0881986
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| Compound Name |
2-fluoro-N-(4-(4-((1r,4r)-4-hydroxycyclohexyloxy)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-5-methoxybenzenesulfonamide
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| Formula |
C25H26FN5O5S
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| Molecular Weight |
527.578
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| Canonical SMILES |
COc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(O[C@H]4CC[C@H](O)CC4)c4c(C)n[nH]c4n3)cc2)c1
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| InChI |
InChI=1S/C25H26FN5O5S/c1-14-22-24(30-29-14)27-23(28-25(22)36-18-9-7-17(32)8-10-18)15-3-5-16(6-4-15)31-37(33,34)21-13-19(35-2)11-12-20(21)26/h3-6,11-13,17-18,31-32H,7-10H2,1-2H3,(H,27,28,29,30)/t17-,18-
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| InChIKey |
GOUCQWQHNARDQT-IYARVYRRSA-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