Mapracorat
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
Molecular Identity
Mapracorat
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
PubChem CID: 24795088
Mapracorat is an aminoquinoline.
2D Structure
Properties
C25H26F4N2O2
Molecular Formula
462.50
Molecular Weight
g/mol
462.1930
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
54.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
675
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(C=C1)C(=CC=C2)NCC(CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)OIsomeric SMILES
SMILES: CC1=NC2=C(C=C1)C(=CC=C2)NC[C@](CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)OSynonyms(20)
Mapracorat887375-26-0BOL-303242-XZK245186ZK-245186BOL-303242X145V79YBVPDTXSID401029572(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-olmapracoratum(2R)-1,1,1-TRIFLUORO-4-(5-FLUORO-2,3-DIHYDRO-1-BENZOFURAN-7-YL)-4-METHYL-2-(((2-METHYLQUINOLIN-5-YL)AMINO)METHYL)PENTAN-2-OLBOL303242-XBOL 303242-XRefChem:155760DTXCID101514796
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mapracorat
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