General Information of the Compound
| Compound ID |
CP0378279
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| Compound Name |
2-hydroxyethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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| Structure |
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| Formula |
C14H14Cl2O3
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| Molecular Weight |
301.169
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| Canonical SMILES |
OCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C14H14Cl2O3/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(18)19-7-6-17/h4-5,8,17H,1-3,6-7H2
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| InChIKey |
XEKOGGCKFOLDIR-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
Protein ID: PT00871, Sodium-dependent serotonin transporter