General Information of the Compound
| Compound ID |
CP0426981
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| Compound Name |
8-[methyl-[2-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyethyl]amino]octyl 3,4,5-trimethoxybenzoate
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| Structure |
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| Formula |
C33H47NO10
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| Molecular Weight |
617.736
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| Canonical SMILES |
COc1cc(\C=C\C(=O)OCCN(C)CCCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
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| InChI |
InChI=1S/C33H47NO10/c1-34(17-19-43-30(35)15-14-24-20-26(37-2)31(41-6)27(21-24)38-3)16-12-10-8-9-11-13-18-44-33(36)25-22-28(39-4)32(42-7)29(23-25)40-5/h14-15,20-23H,8-13,16-19H2,1-7H3/b15-14+
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| InChIKey |
ZNOSXWUNNNGQFM-CCEZHUSRSA-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1