General Information of the Compound
| Compound ID |
CP0426792
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| Compound Name |
2-[2-[4-[[benzyl-[[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethanol
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| Structure |
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| Formula |
C21H31N7O4
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| Molecular Weight |
445.524
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| Canonical SMILES |
OCCOCCn1cc(CN(Cc2cn(CCOCCO)nn2)Cc2ccccc2)nn1
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| InChI |
InChI=1S/C21H31N7O4/c29-8-12-31-10-6-27-17-20(22-24-27)15-26(14-19-4-2-1-3-5-19)16-21-18-28(25-23-21)7-11-32-13-9-30/h1-5,17-18,29-30H,6-16H2
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| InChIKey |
AQYCKYGKVITBNQ-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