General Information of the Compound
| Compound ID |
CP0555516
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| Compound Name |
N-[4-[1-[2-[2-[2-[2-[2-[2-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
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| Formula |
C48H74N8O5
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| Molecular Weight |
843.171
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| Canonical SMILES |
CCCN(CCCCc1cn(CCOCCOCCOCCOCCOCCn2cc(CCCCN(CCC)C3Cc4ccccc4C3)nn2)nn1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C48H74N8O5/c1-3-19-53(47-35-41-13-5-6-14-42(41)36-47)21-11-9-17-45-39-55(51-49-45)23-25-57-27-29-59-31-33-61-34-32-60-30-28-58-26-24-56-40-46(50-52-56)18-10-12-22-54(20-4-2)48-37-43-15-7-8-16-44(43)38-48/h5-8,13-16,39-40,47-48H,3-4,9-12,17-38H2,1-2H3
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| InChIKey |
CGDGQEFCZTTZBO-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