General Information of the Compound
| Compound ID |
CP0392714
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| Compound Name |
2-[4-[2-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C48H43N3O10
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| Molecular Weight |
821.883
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| Canonical SMILES |
O=c1cc(oc2cc(OCCOCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C48H43N3O10/c52-42-30-44(35-11-5-2-6-12-35)60-45-29-39(19-20-40(42)45)58-28-26-56-33-37-31-51(50-49-37)21-22-54-23-24-55-25-27-57-38-17-15-36(16-18-38)47-48(59-32-34-9-3-1-4-10-34)46(53)41-13-7-8-14-43(41)61-47/h1-20,29-31H,21-28,32-33H2
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| InChIKey |
DPRDHVCKUNYPEI-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
Protein ID: PT02516, Multidrug resistance-associated protein 1