General Information of the Compound
| Compound ID |
CP0420558
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| Compound Name |
tert-butyl 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)(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H28N4O4S/c1-23(2,3)31-22(28)26-11-9-18(10-12-26)27-21-15-24-20(13-17(21)14-25-27)16-5-7-19(8-6-16)32(4,29)30/h5-8,13-15,18H,9-12H2,1-4H3
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| InChIKey |
PJOSUSMXOUOJNU-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