Afuresertib
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
Molecular Identity
Afuresertib
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
PubChem CID: 46843057
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide is a member of amphetamines.
2D Structure
Properties
C18H17Cl2FN4OS
Molecular Formula
427.30
Molecular Weight
g/mol
426.0484
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
520
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC(=CC=C3)F)CN)ClIsomeric SMILES
SMILES: CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)ClSynonyms(20)
Afuresertib1047644-62-1GSK2110183GSK-2110183GSK2110183CASB183ASB-183GSK-2110183C8739X25QI3DTXSID601467112-Thiophenecarboxamide, N-((1S)-2-amino-1-((3-fluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamideN-((1S)-1-(aminomethyl)-2-(3-fluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamideN-((2S)-1-AMINO-3-(3-FLUOROPHENYL)PROPAN-2-YL)-5-CHLORO-4-(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXAMIDEafuresertibum
Data from PubChem (NCBI)
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