General Information of the Compound
| Compound ID |
CP0389820
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| Compound Name |
N-(4-tert-butylphenyl)-2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]benzamide
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| Structure |
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| Formula |
C33H39N5O4
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| Molecular Weight |
569.706
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| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC
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| InChI |
InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)
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| InChIKey |
VWVGKMQPCSSADW-UHFFFAOYSA-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
Cell-based Assay