General Information of the Compound
| Compound ID |
CP0846188
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| Compound Name |
(rac)-3-({2-[2-(10H-Phenothiazin-10-yl)ethoxy]ethyl}amino)butanoic acid
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| Structure |
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| Formula |
C20H24N2O3S
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| Molecular Weight |
372.49
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| Canonical SMILES |
CC(CC(=O)O)NCCOCCN1c2ccccc2Sc2ccccc21
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| InChI |
InChI=1S/C20H24N2O3S/c1-15(14-20(23)24)21-10-12-25-13-11-22-16-6-2-4-8-18(16)26-19-9-5-3-7-17(19)22/h2-9,15,21H,10-14H2,1H3,(H,23,24)
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| InChIKey |
WNFXBXMZWZDKQF-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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2