General Information of the Compound
| Compound ID |
CP0476281
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| Compound Name |
2-[4-[4-[1-[2-[benzyl-[2-(4-oxo-2-phenylchromen-7-yl)oxyethyl]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(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C48H44N4O6/c1-34-15-22-45-42(28-34)44(54)31-47(57-45)37-16-18-39(19-17-37)55-26-9-8-14-38-33-52(50-49-38)24-23-51(32-35-10-4-2-5-11-35)25-27-56-40-20-21-41-43(53)30-46(58-48(41)29-40)36-12-6-3-7-13-36/h2-7,10-13,15-22,28-31,33H,8-9,14,23-27,32H2,1H3
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| InChIKey |
IQTLQQJGKAUGJA-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