HIT ID: HIT218887166
Cas No: 2138299-69-9
分子式: C42H47F6N13O10
分子量: 1007.909
常用名: STING agonist-18 diTFA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(2E)-4-[7-(3-aminopropoxy)-5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-methoxy-1H-1,3-benzodiazole-5-carboxamide; bis(trifluoroacetic acid)
IUPAC: 1-[(2E)-4-[7-(3-aminopropoxy)-5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-methoxy-1H-1,3-benzodiazole-5-carboxamide; bis(trifluoroacetic acid)
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN)c12)C(N)=O)C(N)=O
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN)c12)C(N)=O)C(N)=O
InChI key: UXVVIZRIAQRWDG-YEUQMBKVSA-N
