General Information of the Compound
| Compound ID |
CP0512809
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| Compound Name |
(1,1-difluoro-2-methylpropan-2-yl) 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H26F2N4O4S
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| Molecular Weight |
492.548
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| Canonical SMILES |
CC(C)(OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O)C(F)F
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| InChI |
InChI=1S/C23H26F2N4O4S/c1-23(2,21(24)25)33-22(30)28-10-8-17(9-11-28)29-20-14-26-19(12-16(20)13-27-29)15-4-6-18(7-5-15)34(3,31)32/h4-7,12-14,17,21H,8-11H2,1-3H3
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| InChIKey |
CYZKSRYMGPWAQR-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