General Information of the Compound
| Compound ID |
CP0440411
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| Compound Name |
7-[2-[4-[[benzyl-[2-(4-oxo-2-phenylchromen-7-yl)oxyethyl]amino]methyl]triazol-1-yl]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C44H36N4O6
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| Molecular Weight |
716.794
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| Canonical SMILES |
O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C44H36N4O6/c49-39-26-41(32-12-6-2-7-13-32)53-43-24-35(16-18-37(39)43)51-22-20-47(28-31-10-4-1-5-11-31)29-34-30-48(46-45-34)21-23-52-36-17-19-38-40(50)27-42(54-44(38)25-36)33-14-8-3-9-15-33/h1-19,24-27,30H,20-23,28-29H2
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| InChIKey |
PRPJLTBJAUNPBJ-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