General Information of the Compound
| Compound ID |
CP0485956
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| Compound Name |
2-[4-[2-[2-[2-[4-[4-(4-oxo-2-phenylchromen-7-yl)oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C49H45N3O9
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| Molecular Weight |
819.911
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| Canonical SMILES |
O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C49H45N3O9/c53-43-32-45(36-13-5-2-6-14-36)60-46-31-40(22-23-41(43)46)57-25-10-9-15-38-33-52(51-50-38)24-26-55-27-28-56-29-30-58-39-20-18-37(19-21-39)48-49(59-34-35-11-3-1-4-12-35)47(54)42-16-7-8-17-44(42)61-48/h1-8,11-14,16-23,31-33H,9-10,15,24-30,34H2
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| InChIKey |
SNMZQIJBJCOEOZ-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