General Information of the Compound
| Compound ID |
CP0857929
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| Compound Name |
3-(4-(dimethylamino)phenyl)-3-(pyridin-2-yl)-1-(pyridin-4-yl)propan-1-one oxime
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| Structure |
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
CN(C)c1ccc(C(C/C(=N\O)c2ccncc2)c2ccccn2)cc1
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| InChI |
InChI=1S/C21H22N4O/c1-25(2)18-8-6-16(7-9-18)19(20-5-3-4-12-23-20)15-21(24-26)17-10-13-22-14-11-17/h3-14,19,26H,15H2,1-2H3/b24-21+
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| InChIKey |
GCGIGYOGTNOHSV-DARPEHSRSA-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
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1