General Information of the Compound
| Compound ID |
CP0384590
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| Compound Name |
6-[methyl-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxybutyl]amino]hexyl anthracene-9-carboxylate
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| Structure |
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| Formula |
C38H45NO7
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| Molecular Weight |
627.778
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| Canonical SMILES |
COc1cc(\C=C\C(=O)OCCCCN(C)CCCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC
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| InChI |
InChI=1S/C38H45NO7/c1-39(22-12-14-23-45-35(40)20-19-28-25-33(42-2)37(44-4)34(26-28)43-3)21-11-5-6-13-24-46-38(41)36-31-17-9-7-15-29(31)27-30-16-8-10-18-32(30)36/h7-10,15-20,25-27H,5-6,11-14,21-24H2,1-4H3/b20-19+
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| InChIKey |
ZOAMOMIKRWFTDJ-FMQUCBEESA-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