General Information of the Compound
| Compound ID |
CP0398379
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| Compound Name |
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
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| Structure |
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| Formula |
C18H28ClN
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| Molecular Weight |
293.882
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| Canonical SMILES |
Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
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| InChI |
InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
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| InChIKey |
LHQSWMFACCZGMC-AKXYIILFSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01194, Histamine H3 receptor