STING agonist-29
HIT218850653
sdf文件结构编辑类似物检索
HIT ID: HIT218850653
Cas No: 2868261-51-0
分子式: C38H44N14O6
分子量: 792.862
常用名: STING agonist-29
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(2E)-4-[6-carbamoyl-2-(1,5-dimethyl-1H-pyrazole-3-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(1,5-dimethyl-1H-pyrazole-3-amido)-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzodiazole-5-carboxamide
IUPAC: 1-[(2E)-4-[6-carbamoyl-2-(1,5-dimethyl-1H-pyrazole-3-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(1,5-dimethyl-1H-pyrazole-3-amido)-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzodiazole-5-carboxamide
SMILES: Cc1cc(nn1C)C(=O)Nc1nc2cc(cnc2n1C\C=C\Cn1c(NC(=O)c2cc(C)n(C)n2)nc2cc(cc(OCCCN3CCOCC3)c12)C(N)=O)C(N)=O
SMILES: Cc1cc(nn1C)C(=O)Nc1nc2cc(cnc2n1C\C=C\Cn1c(NC(=O)c2cc(C)n(C)n2)nc2cc(cc(OCCCN3CCOCC3)c12)C(N)=O)C(N)=O
InChI key: VUAFTUKWNPVADA-AATRIKPKSA-N
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