JDTic
(3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular Identity
JDTic
(3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID: 9956146
2D Structure
Properties
C28H39N3O3
Molecular Formula
465.60
Molecular Weight
g/mol
465.2991
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
84.8
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
JDTic361444-66-8Rti-jdtic(3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide3C6FZ6UXC8DTXSID70433301compound 10 [PMID: 11495579](3R)-7-Hydroxy-N-((2S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide(3r)-7-Hydroxy-N-{(2s)-1-[(3r,4r)-4-(3-Hydroxyphenyl)-3,4-Dimethylpiperidin-1-Yl]-3-Methylbutan-2-Yl}-1,2,3,4-Tetrahydroisoquinoline-3-Carboxamide3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-7-hydroxy-N-((1S)-1-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-2-methylpropyl)-, (3R)-compound 10 (PMID: 11495579)RefChem:150455DTXCID90384129CHEMBL415247(R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Data from PubChem (NCBI)
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