General Information of the Compound
| Compound ID |
CP0369565
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| Compound Name |
4-[4-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl]benzenesulfonyl fluoride
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| Structure |
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| Formula |
C18H19FN6O3S
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| Molecular Weight |
418.454
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| Canonical SMILES |
Cc1nc(N)c2cnn(C3CCN(CC3)C(=O)c3ccc(cc3)S(F)(=O)=O)c2n1
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| InChI |
InChI=1S/C18H19FN6O3S/c1-11-22-16(20)15-10-21-25(17(15)23-11)13-6-8-24(9-7-13)18(26)12-2-4-14(5-3-12)29(19,27)28/h2-5,10,13H,6-9H2,1H3,(H2,20,22,23)
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| InChIKey |
LOCKTYLDSLKJBO-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