General Information of the Compound
| Compound ID |
CP0402165
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| Compound Name |
3-[methyl-[(2S)-2-methyl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxypropyl]amino]propyl anthracene-9-carboxylate
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| Structure |
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| Formula |
C35H39NO7
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| Molecular Weight |
585.697
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| Canonical SMILES |
COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC
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| InChI |
InChI=1S/C35H39NO7/c1-24(23-43-32(37)16-15-25-19-30(39-3)34(41-5)31(20-25)40-4)22-36(2)17-10-18-42-35(38)33-28-13-8-6-11-26(28)21-27-12-7-9-14-29(27)33/h6-9,11-16,19-21,24H,10,17-18,22-23H2,1-5H3/b16-15+/t24-/m0/s1
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| InChIKey |
KENGSUDQUORMPW-QDEBQFNMSA-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