General Information of the Compound
| Compound ID |
CP0848485
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| Compound Name |
1-{2-[1-Benzoyl-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C31H33Cl2N3O2
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| Molecular Weight |
550.53
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| Canonical SMILES |
NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1
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| InChI |
InChI=1S/C31H33Cl2N3O2/c32-26-12-11-25(21-27(26)33)30(14-20-36(22-30)28(37)23-7-3-1-4-8-23)13-17-35-18-15-31(16-19-35,29(34)38)24-9-5-2-6-10-24/h1-12,21H,13-20,22H2,(H2,34,38)
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| InChIKey |
JMIKNHGMALLEMU-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