General Information of the Compound
| Compound ID |
CP0525561
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| Compound Name |
4-[4-[1-[3-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]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 |
C51H65F3N2O12
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| Molecular Weight |
955.077
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| Canonical SMILES |
CC(C)(C)OC(=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/C51H65F3N2O12/c1-50(2,3)68-49(60)55-17-21-62-23-25-64-27-29-66-31-33-67-32-30-65-28-26-63-24-22-61-20-16-47(57)56-18-14-39(15-19-56)37-4-6-40(7-5-37)46-36-43(48(58)59)35-42-34-41(10-13-45(42)46)38-8-11-44(12-9-38)51(52,53)54/h4-13,34-36,39H,14-33H2,1-3H3,(H,55,60)(H,58,59)
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| InChIKey |
CQLFVSBKDJNKFH-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