General Information of the Compound
| Compound ID |
CP0459805
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| Compound Name |
2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H28N4O4S
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| Molecular Weight |
456.568
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| Canonical SMILES |
CC(C)COC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H28N4O4S/c1-16(2)15-31-23(28)26-10-8-19(9-11-26)27-22-14-24-21(12-18(22)13-25-27)17-4-6-20(7-5-17)32(3,29)30/h4-7,12-14,16,19H,8-11,15H2,1-3H3
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| InChIKey |
YAGXMGHALYWXPX-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