General Information of the Compound
| Compound ID |
CP0405492
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| Compound Name |
6-methyl-2-[4-[4-[1-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C44H43N3O8
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| Molecular Weight |
741.841
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(C)ccc4o3)nn2)cc1
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| InChI |
InChI=1S/C44H43N3O8/c1-30-6-16-41-37(25-30)39(48)27-43(54-41)32-8-12-35(13-9-32)52-19-4-3-5-34-29-47(46-45-34)18-20-50-21-22-51-23-24-53-36-14-10-33(11-15-36)44-28-40(49)38-26-31(2)7-17-42(38)55-44/h6-17,25-29H,3-5,18-24H2,1-2H3
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| InChIKey |
VWEOIAIBXOHUOS-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