General Information of the Compound
| Compound ID |
CP0197181
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| Compound Name |
(E)-1,3-bis(3,4-dimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C19H20O5
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| Molecular Weight |
328.364
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C19H20O5/c1-21-16-9-6-13(11-18(16)23-3)5-8-15(20)14-7-10-17(22-2)19(12-14)24-4/h5-12H,1-4H3/b8-5+
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| InChIKey |
NLVWDGQCMVBWDD-VMPITWQZSA-N
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| CAS |
7355-34-2
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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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2