General Information of the Compound
| Compound ID |
CP0454408
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| Compound Name |
(+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N,3-trimethylbutan-1-amine
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| Structure |
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| Formula |
C19H29Cl2N
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| Molecular Weight |
342.354
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| Canonical SMILES |
CC(C)CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H29Cl2N/c1-14(2)12-18(22(3)4)19(10-6-5-7-11-19)15-8-9-16(20)17(21)13-15/h8-9,13-14,18H,5-7,10-12H2,1-4H3
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| InChIKey |
PKNHHRUELROULR-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