General Information of the Compound
| Compound ID |
CP0549479
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| Compound Name |
5-[methyl-[(2S)-2-methyl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxypropyl]amino]pentyl anthracene-9-carboxylate
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| Structure |
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| Formula |
C37H43NO7
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| Molecular Weight |
613.751
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| Canonical SMILES |
COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC
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| InChI |
InChI=1S/C37H43NO7/c1-26(25-45-34(39)18-17-27-21-32(41-3)36(43-5)33(22-27)42-4)24-38(2)19-11-6-12-20-44-37(40)35-30-15-9-7-13-28(30)23-29-14-8-10-16-31(29)35/h7-10,13-18,21-23,26H,6,11-12,19-20,24-25H2,1-5H3/b18-17+/t26-/m0/s1
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| InChIKey |
YTLXXIDFSHWLQF-QHLVILHISA-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