General Information of the Compound
| Compound ID |
CP0441766
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| Compound Name |
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methylsulfinylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
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| Structure |
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| Formula |
C19H21Cl2NOS
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| Molecular Weight |
382.356
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| Canonical SMILES |
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)=O)cc12
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| InChI |
InChI=1S/C19H21Cl2NOS/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-24(2)23/h3-5,7,9-10,14,19,22H,6,8,11H2,1-2H3/t14-,19-,24?/m0/s1
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| InChIKey |
MLTWEZLEOAHOAA-SMWAQBJTSA-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