General Information of the Compound
| Compound ID |
CP0420553
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| Compound Name |
propan-2-yl 4-[5-[2,5-difluoro-4-(propylcarbamoyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H29F2N5O3
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| Molecular Weight |
485.535
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| Canonical SMILES |
CCCNC(=O)c1cc(F)c(cc1F)-c1cc2cnn(C3CCN(CC3)C(=O)OC(C)C)c2cn1
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| InChI |
InChI=1S/C25H29F2N5O3/c1-4-7-28-24(33)19-12-20(26)18(11-21(19)27)22-10-16-13-30-32(23(16)14-29-22)17-5-8-31(9-6-17)25(34)35-15(2)3/h10-15,17H,4-9H2,1-3H3,(H,28,33)
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| InChIKey |
YBPBANWTGGCJJH-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