General Information of the Compound
| Compound ID |
CP0043142
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| Compound Name |
trans-H2-PAT(-)
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| Synonyms |
(+)-trans-H2-PAT
(2S,4R)-N,N-Dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
(plusmn)-trans-H2-PAT
BDBM86032
CHEMBL127307
GTPL1207
GTPL1209
PDSP1_000957
PDSP2_000942
SCHEMBL3755418
ZINC5965166
trans-PAT
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| Structure |
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| Formula |
C18H21N
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| Molecular Weight |
251.373
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| Canonical SMILES |
CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1
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| InChI |
InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1
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| InChIKey |
DXJUCAUQIHNOAF-SJLPKXTDSA-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
Clinical Information about the Compound