General Information of the Compound
| Compound ID |
CP0463030
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| Compound Name |
1-[[4-[2-(3,4-dichlorophenyl)acetyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C20H19Cl2NO3
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| Molecular Weight |
392.282
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| Canonical SMILES |
OC(=O)C1CCN(Cc2ccc(cc2)C(=O)Cc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C20H19Cl2NO3/c21-17-6-3-14(9-18(17)22)10-19(24)15-4-1-13(2-5-15)11-23-8-7-16(12-23)20(25)26/h1-6,9,16H,7-8,10-12H2,(H,25,26)
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| InChIKey |
KWWYLHWWHLDYHN-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