General Information of the Compound
| Compound ID |
CP0568882
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| Compound Name |
4-[4-[1-[3-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]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 |
C48H59F3N2O11
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| Molecular Weight |
896.997
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| Canonical SMILES |
CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C48H59F3N2O11/c1-35(54)52-15-19-59-21-23-61-25-27-63-29-31-64-30-28-62-26-24-60-22-20-58-18-14-46(55)53-16-12-38(13-17-53)36-2-4-39(5-3-36)45-34-42(47(56)57)33-41-32-40(8-11-44(41)45)37-6-9-43(10-7-37)48(49,50)51/h2-11,32-34,38H,12-31H2,1H3,(H,52,54)(H,56,57)
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| InChIKey |
NFVOQIBLULLJQF-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