(+)-trans-H2-PAT   Click here for help

GtoPdb Ligand ID: 1209

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 3.24
Molecular weight 251.17
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C1Cc2ccccc2C(C1)c1ccccc1)C
Isomeric SMILES CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C
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
InChI Key DXJUCAUQIHNOAF-SJLPKXTDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
Database Links Click here for help
ChEMBL Ligand CHEMBL127307
GtoPdb PubChem SID 135650436
PubChem CID 10106214
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