BDP TMR DBCO
HIT219158848
sdf文件结构编辑类似物检索
HIT ID: HIT219158848
Cas No:
分子式: C42H41BF2N4O3
分子量: 698.62
常用名: BDP TMR DBCO
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 11-{2-[(6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-6-oxohexyl)carbamoyl]ethyl}-2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC: 11-{2-[(6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-6-oxohexyl)carbamoyl]ethyl}-2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
SMILES: COc1ccc(cc1)-c1ccc2C=C3C(C)=C(CCC(=O)NCCCCCC(=O)N4Cc5ccccc5C#Cc5ccccc45)C(C)=[N+]3[B-](F)(F)n12
SMILES: COc1ccc(cc1)-c1ccc2C=C3C(C)=C(CCC(=O)NCCCCCC(=O)N4Cc5ccccc5C#Cc5ccccc45)C(C)=[N+]3[B-](F)(F)n12
InChI key: SZKDRTCSUXEWOO-UHFFFAOYSA-N
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