AT-56
HIT211999927
sdf文件结构编辑类似物检索
HIT ID: HIT211999927
Cas No: 162640-98-4
分子式: C25H27N5
分子量: 397.526
常用名: AT-56
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 4.27693
IUPAC: 1-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine
IUPAC: 1-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine
SMILES: C(CCc1nn[nH]n1)CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:25,(-.09,5.85,;-.09,7.39,;-1.42,8.16,;-1.42,9.7,;-2.67,10.61,;-2.19,12.07,;-.65,12.07,;-.18,10.61,;1.24,5.08,;1.24,3.54,;-.09,2.77,;-.09,1.23,;1.24,.46,;2.58,1.23,;2.58,2.77,;1.24,-1.08,;-.14,-1.75,;-1.27,-.7,;-2.74,-1.15,;-3.09,-2.66,;-1.96,-3.7,;-.49,-3.25,;.47,-4.45,;2.01,-4.45,;2.97,-3.25,;4.45,-3.7,;5.58,-2.66,;5.23,-1.15,;3.76,-.7,;2.63,-1.75,)|
SMILES: C(CCc1nn[nH]n1)CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 |c:25,(-.09,5.85,;-.09,7.39,;-1.42,8.16,;-1.42,9.7,;-2.67,10.61,;-2.19,12.07,;-.65,12.07,;-.18,10.61,;1.24,5.08,;1.24,3.54,;-.09,2.77,;-.09,1.23,;1.24,.46,;2.58,1.23,;2.58,2.77,;1.24,-1.08,;-.14,-1.75,;-1.27,-.7,;-2.74,-1.15,;-3.09,-2.66,;-1.96,-3.7,;-.49,-3.25,;.47,-4.45,;2.01,-4.45,;2.97,-3.25,;4.45,-3.7,;5.58,-2.66,;5.23,-1.15,;3.76,-.7,;2.63,-1.75,)|
InChI key: LQNGMDUIRLSESZ-UHFFFAOYSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
3121-3天99.02% 购物车
BIONET-Key Organics
BB
-3-5周点击询价
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