Cetraxate hydrochloride
HIT212709642
sdf文件结构编辑类似物检索
HIT ID: HIT212709642
Cas No: 27724-96-5
分子式: C17H24ClNO4
分子量: 341.83
常用名: Cetraxate hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 0.33480814
IUPAC: 3-{4-[(1r,4r)-4-(aminomethyl)cyclohexanecarbonyloxy]phenyl}propanoic acid hydrochloride
IUPAC: 3-{4-[(1r,4r)-4-(aminomethyl)cyclohexanecarbonyloxy]phenyl}propanoic acid hydrochloride
SMILES: Cl.NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(O)=O)cc1 |wU:6.8,wD:3.1,(6.26,,;-.36,-8.61,;.97,-7.84,;.97,-6.3,;2.3,-5.53,;2.3,-3.99,;.97,-3.22,;-.36,-3.99,;-.36,-5.53,;.97,-1.68,;2.3,-.91,;-.36,-.91,;-.36,.63,;-1.7,1.4,;-1.7,2.94,;-.36,3.71,;-.36,5.25,;-1.7,6.02,;-1.7,7.56,;-3.03,8.33,;-.36,8.33,;.97,2.94,;.97,1.4,)|
SMILES: Cl.NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(O)=O)cc1 |wU:6.8,wD:3.1,(6.26,,;-.36,-8.61,;.97,-7.84,;.97,-6.3,;2.3,-5.53,;2.3,-3.99,;.97,-3.22,;-.36,-3.99,;-.36,-5.53,;.97,-1.68,;2.3,-.91,;-.36,-.91,;-.36,.63,;-1.7,1.4,;-1.7,2.94,;-.36,3.71,;-.36,5.25,;-1.7,6.02,;-1.7,7.56,;-3.03,8.33,;-.36,8.33,;.97,2.94,;.97,1.4,)|
InChI key: USROQQUKEBHOFF-SKKCDYJJSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
1101-3天 购物车
Mcule
SC
4464-5周 购物车
TargetMol | Target Loading
正在加载 ~