General Information of the Compound
| Compound ID |
CP0520713
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| Compound Name |
(1,1-difluoro-2-methylpropan-2-yl) 4-[5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H25F3N4O4S
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| Molecular Weight |
510.538
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| Canonical SMILES |
CC(C)(OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1F)S(C)(=O)=O)C(F)F
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| InChI |
InChI=1S/C23H25F3N4O4S/c1-23(2,21(25)26)34-22(31)29-8-6-15(7-9-29)30-20-13-27-19(10-14(20)12-28-30)17-5-4-16(11-18(17)24)35(3,32)33/h4-5,10-13,15,21H,6-9H2,1-3H3
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| InChIKey |
UFXSEAVVMTXRLL-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