General Information of the Compound
| Compound ID |
CP0574171
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| Compound Name |
N-[4-[1-[2-[2-[2-[2-[2-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
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| Formula |
C46H70N8O4
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| Molecular Weight |
799.118
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| Canonical SMILES |
CCCN(CCCCc1cn(CCOCCOCCOCCOCCn2cc(CCCCN(CCC)C3Cc4ccccc4C3)nn2)nn1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C46H70N8O4/c1-3-19-51(45-33-39-13-5-6-14-40(39)34-45)21-11-9-17-43-37-53(49-47-43)23-25-55-27-29-57-31-32-58-30-28-56-26-24-54-38-44(48-50-54)18-10-12-22-52(20-4-2)46-35-41-15-7-8-16-42(41)36-46/h5-8,13-16,37-38,45-46H,3-4,9-12,17-36H2,1-2H3
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| InChIKey |
SOJFIJKCXJMOJO-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