General Information of the Compound
| Compound ID |
CP0065736
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| Compound Name |
(E)-1-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C17H17NO3
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| Molecular Weight |
283.327
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| Canonical SMILES |
CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
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| InChI |
InChI=1S/C17H17NO3/c1-18(2)13-6-3-12(4-7-13)5-10-16(20)15-9-8-14(19)11-17(15)21/h3-11,19,21H,1-2H3/b10-5+
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| InChIKey |
NEWRHJWDQQDMSN-BJMVGYQFSA-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B