General Information of the Compound
| Compound ID |
CP0476166
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| Compound Name |
6-methyl-2-[4-[4-[1-[2-(4-oxo-2-phenylchromen-7-yl)oxyethyl]triazol-4-yl]butoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C39H33N3O6
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| Molecular Weight |
639.708
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C39H33N3O6/c1-26-10-17-36-33(21-26)35(44)24-38(47-36)28-11-13-30(14-12-28)45-19-6-5-9-29-25-42(41-40-29)18-20-46-31-15-16-32-34(43)23-37(48-39(32)22-31)27-7-3-2-4-8-27/h2-4,7-8,10-17,21-25H,5-6,9,18-20H2,1H3
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| InChIKey |
WTNMZYHEWMPTBP-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