Name: BDP 650/665 DBCO
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219158897
Cas No:
常用名:BDP 650/665 DBCO
别名:BDP650/665 DBCO, BDP 650/665DBCO
IUPAC:4-[(1E)-2-(4-{[(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]methoxy}phenyl)ethenyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:4-[(1E)-2-(4-{[(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]methoxy}phenyl)ethenyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:SMLANKIREOERQG-HMMYKYKNSA-N

分子式:C44H38BF2N5O3
分子量:733.63
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:F[B-]1(F)n2c(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)N4Cc5ccccc5C#Cc5ccccc45)cc3)ccc2C=C2C=CC(c3ccc[nH]3)=[N+]12
SMILES:F[B-]1(F)n2c(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)N4Cc5ccccc5C#Cc5ccccc45)cc3)ccc2C=C2C=CC(c3ccc[nH]3)=[N+]12

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