Brilacidin
4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
Molecular Identity
Brilacidin
4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
PubChem CID: 25023695
2D Structure
Properties
C40H50F6N14O6
Molecular Formula
936.90
Molecular Weight
g/mol
936.3942
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
314
TPSA
May have limited oral absorption
10
H-Bond Donors
18
H-Bond Acceptors
1560
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Brilacidin1224095-98-0PMX30063BrilacidinaBrilacidinePMX30063 FREE BASEPMX-30063 FREE BASEI1679X069HDTXSID90153594brilacidinumRefChem:917567DTXCID6076085N4,N6-Bis(3-((5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-((3R)-3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl)-4,6-pyrimidinedicarboxamideN4,N6-bis(3-((5-(carbamimidoylamino)pentanoyl)amino(-2-((3R)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamideN4,N6-bis(3-(5-carbamimidamidopentanamido)-2-((3R)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide
Data from PubChem (NCBI)
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