Cyanine5 DBCO chloride
HIT219476055
sdf文件结构编辑类似物检索
HIT ID: HIT219476055
Cas No:
分子式: C50H53ClN4O2
分子量: 777.45
常用名: Cyanine5 DBCO chloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[5-(1-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
IUPAC: 2-[5-(1-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
SMILES: [Cl-].C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
SMILES: [Cl-].C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
InChI key: HWIXBRHDYGXXEQ-UHFFFAOYSA-N
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