General Information of the Compound
| Compound ID |
CP0391998
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| Compound Name |
3-(3-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C16H12Cl3NO
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| Molecular Weight |
340.637
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| Canonical SMILES |
Clc1cccc(c1)C1C(CNC1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H12Cl3NO/c17-11-3-1-2-10(6-11)15-12(8-20-16(15)21)9-4-5-13(18)14(19)7-9/h1-7,12,15H,8H2,(H,20,21)
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| InChIKey |
XOMFYIZXAHTPCL-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