General Information of the Compound
| Compound ID |
CP0378278
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| Compound Name |
(3-methylphenyl) 2-(3,4-dichlorophenyl)cyclopentene-1-carboxylate
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| Structure |
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| Formula |
C19H16Cl2O2
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| Molecular Weight |
347.241
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| Canonical SMILES |
Cc1cccc(OC(=O)C2=C(CCC2)c2ccc(Cl)c(Cl)c2)c1
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| InChI |
InChI=1S/C19H16Cl2O2/c1-12-4-2-5-14(10-12)23-19(22)16-7-3-6-15(16)13-8-9-17(20)18(21)11-13/h2,4-5,8-11H,3,6-7H2,1H3
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| InChIKey |
DPGZNUSUOPLFNV-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