General Information of the Compound
| Compound ID |
CP0443951
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| Compound Name |
7-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]-4-methyl-3-phenylchromen-2-one
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| Structure |
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| Formula |
C32H35NO5
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| Molecular Weight |
513.634
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| Canonical SMILES |
COc1cc2CCN(CCCCCOc3ccc4c(C)c(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C32H35NO5/c1-22-27-13-12-26(20-28(27)38-32(34)31(22)23-10-6-4-7-11-23)37-17-9-5-8-15-33-16-14-24-18-29(35-2)30(36-3)19-25(24)21-33/h4,6-7,10-13,18-20H,5,8-9,14-17,21H2,1-3H3
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| InChIKey |
STGJFKMXOJBUDO-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