General Information of the Compound
| Compound ID |
CP0166272
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| Compound Name |
(1R,2S)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C17H17Cl2N
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| Molecular Weight |
306.236
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| Canonical SMILES |
CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m0/s1
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| InChIKey |
YTBOYUYWXPLZQM-DLBZAZTESA-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