General Information of the Compound
| Compound ID |
CP0437291
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| Compound Name |
1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-isopropoxy-3,5-dimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C36H43Cl2N3O5
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| Molecular Weight |
668.662
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| Canonical SMILES |
COc1cc(cc(OC)c1OC(C)C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C36H43Cl2N3O5/c1-24(2)46-32-30(44-3)20-25(21-31(32)45-4)33(42)41-19-13-35(23-41,27-10-11-28(37)29(38)22-27)12-16-40-17-14-36(15-18-40,34(39)43)26-8-6-5-7-9-26/h5-11,20-22,24H,12-19,23H2,1-4H3,(H2,39,43)
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| InChIKey |
FAEAIUMVNYXDOL-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