General Information of the Compound
| Compound ID |
CP0479996
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| Compound Name |
1-{2-[3-(3,4-Dichloro-phenyl)-1-(2,4-dimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C33H37Cl2N3O4
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| Molecular Weight |
610.582
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| Canonical SMILES |
COc1ccc(C(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c(OC)c1
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| InChI |
InChI=1S/C33H37Cl2N3O4/c1-41-25-9-10-26(29(21-25)42-2)30(39)38-19-13-32(22-38,24-8-11-27(34)28(35)20-24)12-16-37-17-14-33(15-18-37,31(36)40)23-6-4-3-5-7-23/h3-11,20-21H,12-19,22H2,1-2H3,(H2,36,40)
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| InChIKey |
DJQNAWVRMSVHNZ-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