General Information of the Compound
| Compound ID |
CP0488544
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| Compound Name |
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C24H25N3O4/c1-29-21-11-17-9-10-27(15-19(17)12-22(21)30-2)14-16-3-6-20(7-4-16)31-23-8-5-18(13-26-23)24(25)28/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,25,28)
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| InChIKey |
UKVIVARPCXMWDH-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
Protein ID: PT02516, Multidrug resistance-associated protein 1