Example 10 [WO2014196644A1]
5-(6-chloro-2-methyl-1-benzothiophen-3-yl)-2-[(2R)-2-[(cyclobutylamino)methyl]morpholin-4-yl]benzoic acid
Molecular Identity
Example 10 [WO2014196644A1]
5-(6-chloro-2-methyl-1-benzothiophen-3-yl)-2-[(2R)-2-[(cyclobutylamino)methyl]morpholin-4-yl]benzoic acid
PubChem CID: 86291498
2D Structure
Properties
C25H27ClN2O3S
Molecular Formula
471.00
Molecular Weight
g/mol
470.1431
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
90
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(S1)C=C(C=C2)Cl)C3=CC(=C(C=C3)N4CCOC(C4)CNC5CCC5)C(=O)OIsomeric SMILES
SMILES: CC1=C(C2=C(S1)C=C(C=C2)Cl)C3=CC(=C(C=C3)N4CCO[C@@H](C4)CNC5CCC5)C(=O)OSynonyms(6)
ASP-0819SCHEMBL16279418GTPL12646ASP0819Example 10 [WO2014196644A1]5-(6-chloro-2-methyl-1-benzothiophen-3-yl)-2-[(2R)-2-[(cyclobutylamino)methyl]morpholin-4-yl]benzoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Example 10 [WO2014196644A1]
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