General Information of the Compound
| Compound ID |
CP0320328
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| Compound Name |
1-[2-(2,4-dichlorophenoxy)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylmethanamine
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| Structure |
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| Formula |
C17H18Cl2N2O3S
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| Molecular Weight |
401.315
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| Canonical SMILES |
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)N1CCCS1(=O)=O
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| InChI |
InChI=1S/C17H18Cl2N2O3S/c1-20-11-12-9-14(21-7-2-8-25(21,22)23)4-6-16(12)24-17-5-3-13(18)10-15(17)19/h3-6,9-10,20H,2,7-8,11H2,1H3
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| InChIKey |
YZHPFFVLNPTVQU-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