General Information of the Compound
| Compound ID |
CP0394428
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| Compound Name |
2-[4-[2-[2-[2-[4-[[benzyl-[2-(4-oxo-2-phenylchromen-7-yl)oxyethyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-6-methylchromen-4-one
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| Structure |
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| Formula |
C49H46N4O8
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| Molecular Weight |
818.927
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C49H46N4O8/c1-35-12-19-46-43(28-35)45(55)31-48(60-46)38-13-15-40(16-14-38)59-27-26-57-25-24-56-22-21-53-34-39(50-51-53)33-52(32-36-8-4-2-5-9-36)20-23-58-41-17-18-42-44(54)30-47(61-49(42)29-41)37-10-6-3-7-11-37/h2-19,28-31,34H,20-27,32-33H2,1H3
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| InChIKey |
OYXBXNPLVSLBAG-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