General Information of the Compound
| Compound ID |
CP0542451
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| Compound Name |
1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
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| Structure |
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| Formula |
C23H30N4O2S
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| Molecular Weight |
426.586
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| Canonical SMILES |
CC(C)CCN1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H30N4O2S/c1-17(2)8-11-26-12-9-20(10-13-26)27-23-16-24-22(14-19(23)15-25-27)18-4-6-21(7-5-18)30(3,28)29/h4-7,14-17,20H,8-13H2,1-3H3
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| InChIKey |
KFFGTIVWYFOZEZ-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