General Information of the Compound
| Compound ID |
CP0557774
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| Compound Name |
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone
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| Synonyms |
CCX-354
CCX-354-C
GSK2941266
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| Structure |
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| Formula |
C22H22ClN7O2
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| Molecular Weight |
451.918
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc12
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| InChI |
InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
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| InChIKey |
ZIMLRKWQDLVPEK-UHFFFAOYSA-N
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| CAS |
1010073-75-2
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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
Clinical Information about the Compound