Molecules/(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
(3S)-6-chloro-5'-(cyclobutylmethyl)spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylic acid
Molecular Identity
(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
(3S)-6-chloro-5'-(cyclobutylmethyl)spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylic acid
PubChem CID: 138320064
2D Structure
Properties
C23H24ClNO3
Molecular Formula
397.90
Molecular Weight
g/mol
397.1445
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
596
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C1)CN2CC3(CCC4=C3C=CC(=C4)Cl)COC5=C2C=C(C=C5)C(=O)OIsomeric SMILES
SMILES: C1CC(C1)CN2C[C@@]3(CCC4=C3C=CC(=C4)Cl)COC5=C2C=C(C=C5)C(=O)OSynonyms(4)
CHEMBL4449176(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acidBDBM50519616LOD
Data from PubChem (NCBI)
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Molecular Structure
(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
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Drug Network
Trials and conditions connected to (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
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