General Information of the Compound
| Compound ID |
CP0098974
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| Compound Name |
(2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide
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| Structure |
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| Formula |
C18H16N2O3
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| Molecular Weight |
308.337
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| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
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| InChI |
InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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| InChIKey |
ZZQHNBGRWRQWFI-XNTDXEJSSA-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: PT06109, Geminin
Protein ID: PT01065, Serine/threonine-protein kinase mTOR