General Information of the Compound
| Compound ID |
CP0381428
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| Compound Name |
(+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,3-dimethylbutan-1-amine
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| Structure |
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| Formula |
C18H27Cl2N
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| Molecular Weight |
328.327
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| Canonical SMILES |
CNC(CC(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H27Cl2N/c1-13(2)11-17(21-3)18(9-5-4-6-10-18)14-7-8-15(19)16(20)12-14/h7-8,12-13,17,21H,4-6,9-11H2,1-3H3
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| InChIKey |
POKCWLLPLOIIOW-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
Protein ID: PT00871, Sodium-dependent serotonin transporter