General Information of the Compound
| Compound ID |
CP0437228
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| Compound Name |
1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-4-methyl-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C34H39Cl2N3O4
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| Molecular Weight |
624.609
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C34H39Cl2N3O4/c1-23-29(42-2)19-24(20-30(23)43-3)31(40)39-18-12-33(22-39,26-9-10-27(35)28(36)21-26)11-15-38-16-13-34(14-17-38,32(37)41)25-7-5-4-6-8-25/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)
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| InChIKey |
OXBZNPLKDFFHHC-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