General Information of the Compound
Compound ID |
CP0447790
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Compound Name |
1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3,4,5-trimethoxy-phenyl)-acetyl]-pyrrolidin-3-yl}-ethyl)-4-phenyl-piperidine-4-carboxylic acid amide
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Structure |
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Formula |
C35H41Cl2N3O5
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Molecular Weight |
654.635
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Canonical SMILES |
COc1cc(CC(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC
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InChI |
InChI=1S/C35H41Cl2N3O5/c1-43-29-19-24(20-30(44-2)32(29)45-3)21-31(41)40-18-12-34(23-40,26-9-10-27(36)28(37)22-26)11-15-39-16-13-35(14-17-39,33(38)42)25-7-5-4-6-8-25/h4-10,19-20,22H,11-18,21,23H2,1-3H3,(H2,38,42)
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InChIKey |
RPMPXKASBWJZPP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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