2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
(3R)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Molecular Identity
2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
(3R)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
PubChem CID: 444698
2D Structure
Properties
C22H19NO4S
Molecular Formula
393.50
Molecular Weight
g/mol
393.1035
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
83.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
644
Complexity
SMILES
Canonical SMILES
SMILES: C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OIsomeric SMILES
SMILES: C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OSynonyms(15)
2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACIDRefChem:459868(3R)-2-(4-phenylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidBSI1bzsSCHEMBL5960202BNVMUDXGABBWGP-OAQYLSRUSA-N191326-92-8DB03207PD007722NS00069503Q27094136(3R)-2-([1,1'-biphenyl]-4-ylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid(3R)-2-(biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-N-(4-biphenylylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
Data from PubChem (NCBI)
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Molecular Structure
2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
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Drug Network
Trials and conditions connected to 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
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