General Information of the Compound
| Compound ID |
CP0339523
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| Compound Name |
1-[2-(4-chloro-2-methylphenoxy)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylmethanamine
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| Structure |
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| Formula |
C18H21ClN2O3S
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| Molecular Weight |
380.897
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| Canonical SMILES |
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)N1CCCS1(=O)=O
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| InChI |
InChI=1S/C18H21ClN2O3S/c1-13-10-15(19)4-6-17(13)24-18-7-5-16(11-14(18)12-20-2)21-8-3-9-25(21,22)23/h4-7,10-11,20H,3,8-9,12H2,1-2H3
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| InChIKey |
IDPUQOWVIAMLNB-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