General Information of the Compound
| Compound ID |
CP0492489
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| Compound Name |
(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C20H19F6N
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| Molecular Weight |
387.367
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| Canonical SMILES |
CN(C)[C@H]1CCc2c(C1)cccc2-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H19F6N/c1-27(2)16-6-7-18-12(10-16)4-3-5-17(18)13-8-14(19(21,22)23)11-15(9-13)20(24,25)26/h3-5,8-9,11,16H,6-7,10H2,1-2H3/t16-/m0/s1
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| InChIKey |
VWXSJQBCFCSEGI-INIZCTEOSA-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