General Information of the Compound
| Compound ID |
CP0394731
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| Compound Name |
1-[(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C19H21Cl2N
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| Molecular Weight |
334.29
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| Canonical SMILES |
CN(C)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1
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| InChI |
InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17-/m0/s1
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| InChIKey |
WUSGTAILSJGBRD-GUYCJALGSA-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