General Information of the Compound
| Compound ID |
CP0382133
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| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C28H26O6
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| Molecular Weight |
458.51
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc(cc2)C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C28H26O6/c1-31-25-15-7-19(17-27(25)33-3)5-13-23(29)21-9-11-22(12-10-21)24(30)14-6-20-8-16-26(32-2)28(18-20)34-4/h5-18H,1-4H3/b13-5+,14-6+
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| InChIKey |
YKIRPCCPQBQNCY-ACFHMISVSA-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT06109, Geminin