General Information of the Compound
| Compound ID |
CP0478371
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| Compound Name |
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-oxazol-2-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C25H24N2O4
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| Molecular Weight |
416.477
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| Canonical SMILES |
COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(O)ccc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C25H24N2O4/c1-29-23-11-18-7-8-27(13-20(18)12-24(23)30-2)14-21-15-31-25(26-21)19-4-3-17-10-22(28)6-5-16(17)9-19/h3-6,9-12,15,28H,7-8,13-14H2,1-2H3
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| InChIKey |
CJGJIULVHOUJMW-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