General Information of the Compound
| Compound ID |
CP0409641
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| Compound Name |
5-(2-chloro-4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C18H19ClFN
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| Molecular Weight |
303.808
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| Canonical SMILES |
CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C18H19ClFN/c1-21(2)14-7-9-15-12(10-14)4-3-5-16(15)17-8-6-13(20)11-18(17)19/h3-6,8,11,14H,7,9-10H2,1-2H3
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| InChIKey |
TZZHMMPVRFEYGK-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7