General Information of the Compound
| Compound ID |
CP0853062
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| Compound Name |
[3-(2,2-Dioxo-1-phenyl-1,2,3,4-tetrahydro-2lambda*6*-benzo[c][1,2]thiazin-3-yl)-propyl]-methyl-amine hydrochloride
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| Structure |
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| Formula |
C18H23ClN2O2S
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| Molecular Weight |
366.914
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| Canonical SMILES |
CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O.Cl
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| InChI |
InChI=1S/C18H22N2O2S.ClH/c1-19-13-7-11-17-14-15-8-5-6-12-18(15)20(23(17,21)22)16-9-3-2-4-10-16;/h2-6,8-10,12,17,19H,7,11,13-14H2,1H3;1H
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| InChIKey |
TWOLHZITFDHKDN-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