General Information of the Compound
| Compound ID |
CP0424014
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| Compound Name |
4-[4-[1-[3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C45H54F3NO10
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| Molecular Weight |
825.918
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| Canonical SMILES |
COCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C45H54F3NO10/c1-53-18-19-55-22-23-57-26-27-59-29-28-58-25-24-56-21-20-54-17-14-43(50)49-15-12-35(13-16-49)33-2-4-36(5-3-33)42-32-39(44(51)52)31-38-30-37(8-11-41(38)42)34-6-9-40(10-7-34)45(46,47)48/h2-11,30-32,35H,12-29H2,1H3,(H,51,52)
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| InChIKey |
HJBZROWHHNJNDE-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