ASP8302
3-[(2S)-4-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-2-methylpiperazin-1-yl]propanoic acid
Molecular Identity
ASP8302
3-[(2S)-4-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-2-methylpiperazin-1-yl]propanoic acid
PubChem CID: 126741248
2D Structure
Properties
C26H32ClN7O3S2
Molecular Formula
590.20
Molecular Weight
g/mol
589.1697
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
171
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
862
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(15)
ASP83021839583-42-4ASP-83022CMX9GYR6Horb2564510CHEMBL6068539SCHEMBL18691860SCHEMBL30440115EX-A10311HY-160888CS-1050927(2S)-4-[5-[[[4-(4-Chloro-2-thienyl)-5-[[(2R)-2-methyl-1-pyrrolidinyl]methyl]-2-thiazolyl]amino]carbonyl]-2-pyrazinyl]-2-methyl-1-piperazinepropanoic acid1-Piperazinepropanoic acid, 4-[5-[[[4-(4-chloro-2-thienyl)-5-[[(2R)-2-methyl-1-pyrrolidinyl]methyl]-2-thiazolyl]amino]carbonyl]-2-pyrazinyl]-2-methyl-, (2S)-3-[(2S)-4-(5-f[4-(4-chlorothiophen-2-yl)-5-f[(2R)-2-methylpyrrolidin-1-yl]methylg-1,3-thiazol-2-yl]carbamoylgpyrazin-2-yl)-2-methylpiperazin-1-yl]propanoic acid3-[(2S)-4-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-2-methylpiperazin-1-yl]propanoic acid
Data from PubChem (NCBI)
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