General Information of the Compound
| Compound ID |
CP0134896
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| Compound Name |
(+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-yl}-amide
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| Structure |
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| Formula |
C29H32ClN3O2
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| Molecular Weight |
490.047
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| Canonical SMILES |
Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1
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| InChI |
InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34)
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| InChIKey |
XZSLPXJGQLDVET-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