General Information of the Compound
| Compound ID |
CP0476162
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| Compound Name |
2-[4-[4-[1-[2-[benzyl-[2-[4-(4-oxochromen-2-yl)phenoxy]ethyl]amino]ethyl]triazol-4-yl]butoxy]phenyl]-6-methylchromen-4-one
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| Structure |
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| Formula |
C48H44N4O6
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| Molecular Weight |
772.902
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C48H44N4O6/c1-34-14-23-46-42(29-34)44(54)31-48(58-46)37-15-19-39(20-16-37)55-27-8-7-11-38-33-52(50-49-38)25-24-51(32-35-9-3-2-4-10-35)26-28-56-40-21-17-36(18-22-40)47-30-43(53)41-12-5-6-13-45(41)57-47/h2-6,9-10,12-23,29-31,33H,7-8,11,24-28,32H2,1H3
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| InChIKey |
DCSFLKGBUGEIHI-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2