MS39
(2S,4R)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular Identity
MS39
(2S,4R)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID: 145996533
2D Structure
Properties
C55H71ClFN9O7S
Molecular Formula
1056.70
Molecular Weight
g/mol
1055.4870
Exact Mass
Da
9.1
XLogP
Above Lipinski threshold
220
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1760
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(15)
MS392675490-92-1(2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamideCHEMBL4529558MS-39orb1741489GTPL10634GLXC-22134BDBM50520209EX-A11411compound 6 [PMID: 31895569]BP-41596HY-157581CS-0996166H41038
Data from PubChem (NCBI)
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