General Information of the Compound
| Compound ID |
CP0530951
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| Compound Name |
4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-c]pyridin-5-yl]-2,5-difluoro-N-(2-hydroxyethyl)benzamide
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| Structure |
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| Formula |
C26H27F2N7O2
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| Molecular Weight |
507.545
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)n1ncc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)NCCO
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| InChI |
InChI=1S/C26H27F2N7O2/c1-2-16-12-31-26(32-13-16)34-6-3-18(4-7-34)35-24-15-30-23(9-17(24)14-33-35)19-10-22(28)20(11-21(19)27)25(37)29-5-8-36/h9-15,18,36H,2-8H2,1H3,(H,29,37)
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| InChIKey |
WPDWJHNPVLRNCW-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