General Information of the Compound
| Compound ID |
CP0480603
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| Compound Name |
1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(2-methoxy-phenyl)-acetyl]-pyrrolidin-3-yl}-ethyl)-4-phenyl-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C33H37Cl2N3O3
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| Molecular Weight |
594.583
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| Canonical SMILES |
COc1ccccc1CC(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H37Cl2N3O3/c1-41-29-10-6-5-7-24(29)21-30(39)38-20-14-32(23-38,26-11-12-27(34)28(35)22-26)13-17-37-18-15-33(16-19-37,31(36)40)25-8-3-2-4-9-25/h2-12,22H,13-21,23H2,1H3,(H2,36,40)
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| InChIKey |
YCMAOHLEJMWCLX-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