General Information of the Compound
| Compound ID |
CP0139935
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| Compound Name |
N-[4-(4-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-2-fluoro-5-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H18FN5O2S
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| Molecular Weight |
423.473
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| Canonical SMILES |
Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2cn[nH]c2n1
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| InChI |
InChI=1S/C21H18FN5O2S/c1-12-2-9-17(22)18(10-12)30(28,29)27-15-7-5-14(6-8-15)20-24-19(13-3-4-13)16-11-23-26-21(16)25-20/h2,5-11,13,27H,3-4H2,1H3,(H,23,24,25,26)
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| InChIKey |
BLKGECPROMXKRG-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