General Information of the Compound
| Compound ID |
CP0447769
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| Compound Name |
propan-2-yl 4-[5-[2,5-difluoro-4-(2-hydroxyethylcarbamoyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H27F2N5O4
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| Molecular Weight |
487.507
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)NCCO
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| InChI |
InChI=1S/C24H27F2N5O4/c1-14(2)35-24(34)30-6-3-16(4-7-30)31-22-13-28-21(9-15(22)12-29-31)17-10-20(26)18(11-19(17)25)23(33)27-5-8-32/h9-14,16,32H,3-8H2,1-2H3,(H,27,33)
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| InChIKey |
IUZQVTROBXSIBU-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