General Information of the Compound
| Compound ID |
CP0386626
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| Compound Name |
(2S,4S)-4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
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| Structure |
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| Formula |
C18H21Cl2N
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| Molecular Weight |
322.279
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| Canonical SMILES |
Cl.CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
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| InChI |
InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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| InChIKey |
HZEWBMLAXFVPPT-CVLQQERVSA-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