General Information of the Compound
| Compound ID |
CP0523172
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| Compound Name |
3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl]benzonitrile
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| Structure |
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| Formula |
C20H17N3O
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| Molecular Weight |
315.376
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| Canonical SMILES |
CCc1c(cnc(N)c1-c1cccc(c1)C#N)-c1ccc(O)cc1
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| InChI |
InChI=1S/C20H17N3O/c1-2-17-18(14-6-8-16(24)9-7-14)12-23-20(22)19(17)15-5-3-4-13(10-15)11-21/h3-10,12,24H,2H2,1H3,(H2,22,23)
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| InChIKey |
MMUSYYVQWDEOOL-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