General Information of the Compound
| Compound ID |
CP0467136
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| Compound Name |
1-{2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C32H35Cl2N3O3
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| Molecular Weight |
580.556
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| Canonical SMILES |
COc1cccc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H35Cl2N3O3/c1-40-26-9-5-6-23(20-26)29(38)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-16-36-17-14-32(15-18-36,30(35)39)24-7-3-2-4-8-24/h2-11,20-21H,12-19,22H2,1H3,(H2,35,39)
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| InChIKey |
GUUBAKCFURYWAZ-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