General Information of the Compound
| Compound ID |
CP0754937
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| Compound Name |
Rac-1-(3,4-dichlorophenyl)-3-ethyl-1,4-diazepan-2-one hydrochloride
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| Structure |
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| Formula |
C13H17Cl3N2O
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| Molecular Weight |
323.651
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| Canonical SMILES |
CCC1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O.Cl
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| InChI |
InChI=1S/C13H16Cl2N2O.ClH/c1-2-12-13(18)17(7-3-6-16-12)9-4-5-10(14)11(15)8-9;/h4-5,8,12,16H,2-3,6-7H2,1H3;1H
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| InChIKey |
UMZZJUZWLRKJTC-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