General Information of the Compound
| Compound ID |
CP0453803
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| Compound Name |
2-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)cyclopent-1-enecarboxamide
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| Structure |
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| Formula |
C17H15Cl2NOS
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| Molecular Weight |
352.286
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1
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| InChI |
InChI=1S/C17H15Cl2NOS/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)
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| InChIKey |
AQRRWNJTDQZWAN-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