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: CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(C(C)C)NC(=O)C3CC4=C(CN3)C=C(C=C4)OIsomeric SMILES
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)OSynonyms(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)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Jdtic
Loading drug network...