General Information of the Compound
| Compound ID |
CP0080614
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| Compound Name |
4-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl]benzenesulfonyl fluoride
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| Structure |
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| Formula |
C17H17FN6O3S
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| Molecular Weight |
404.427
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| Canonical SMILES |
Nc1ncnc2n(ncc12)C1CCN(CC1)C(=O)c1ccc(cc1)S(F)(=O)=O
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| InChI |
InChI=1S/C17H17FN6O3S/c18-28(26,27)13-3-1-11(2-4-13)17(25)23-7-5-12(6-8-23)24-16-14(9-22-24)15(19)20-10-21-16/h1-4,9-10,12H,5-8H2,(H2,19,20,21)
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| InChIKey |
AKZZVXRTBVBUTI-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