Pamufetinib
4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
Molecular Identity
Pamufetinib
4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
PubChem CID: 44247727
2D Structure
Properties
C27H23FN4O4S
Molecular Formula
518.60
Molecular Weight
g/mol
518.1424
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
798
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)FIsomeric SMILES
SMILES: CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)FSynonyms(20)
pamufetinibTAS-1151190836-34-0H2OL3Q4XRD4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide4-[2-Fluoro-4-[[[(2-phenylacetyl)amino]thioxomethyl]amino]phenoxy]-7-methoxy-N-methyl-6-quinolinecarboxamide6-Quinolinecarboxamide, 4-(2-fluoro-4-((((2-phenylacetyl)amino)thioxomethyl)amino)phenoxy)-7-methoxy-N-methyl-4-(2-Fluoro-4-((((2-phenylacetyl)amino)thioxomethyl)amino)phenoxy)-7-methoxy-N-methyl-6-quinolinecarboxamide4-(2-fluoro-4-((2-phenylacetyl)carbamothioylamino)phenoxy)-7-methoxy-N-methylquinoline-6-carboxamideRefChem:1698144-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxy-N-methylquinoline-6-carboxamideTAS-115 free basePamufetinib (TAS-115)TAS115MFCD28386203
Data from PubChem (NCBI)
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