General Information of the Compound
| Compound ID |
CP0379668
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| Compound Name |
4-(3-chlorophenyl)-3-(4-chlorophenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C16H13Cl2NO
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| Molecular Weight |
306.192
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| Canonical SMILES |
Clc1ccc(cc1)C1C(CNC1=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H13Cl2NO/c17-12-6-4-10(5-7-12)15-14(9-19-16(15)20)11-2-1-3-13(18)8-11/h1-8,14-15H,9H2,(H,19,20)
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| InChIKey |
MLLKPBZCMWKIND-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter