General Information of the Compound
| Compound ID |
CP0501918
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| Compound Name |
2-(3,4-dichlorophenyl)-N-methoxycyclopent-1-enecarboxamide
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| Structure |
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| Formula |
C13H13Cl2NO2
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| Molecular Weight |
286.158
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| Canonical SMILES |
CONC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C13H13Cl2NO2/c1-18-16-13(17)10-4-2-3-9(10)8-5-6-11(14)12(15)7-8/h5-7H,2-4H2,1H3,(H,16,17)
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| InChIKey |
BIXIBQFJRMFLKO-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