T863
HIT212038026
sdf文件结构编辑类似物检索
HIT ID: HIT212038026
Cas No: 701232-20-4
分子式: C22H26N4O3
分子量: 394.475
常用名: T863
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 3.8451176
IUPAC: 2-[(1r,4r)-4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)cyclohexyl]acetic acid
IUPAC: 2-[(1r,4r)-4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)cyclohexyl]acetic acid
SMILES: CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |wU:22.25,wD:19.21,c:12,(1.61,-4.26,;2.43,-2.95,;.89,-3.01,;3.76,-3.72,;5.09,-2.95,;6.43,-3.72,;7.76,-2.95,;7.76,-1.41,;6.43,-.64,;6.43,.9,;5.09,-1.41,;3.76,-.64,;2.43,-1.41,;1.09,-.64,;1.09,.9,;-.24,1.67,;-1.57,.9,;-1.57,-.64,;-.24,-1.41,;-2.91,1.67,;-2.91,3.21,;-4.24,3.98,;-5.58,3.21,;-6.91,3.98,;-8.24,3.21,;-8.24,1.67,;-9.58,3.98,;-5.58,1.67,;-4.24,.9,)|
SMILES: CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |wU:22.25,wD:19.21,c:12,(1.61,-4.26,;2.43,-2.95,;.89,-3.01,;3.76,-3.72,;5.09,-2.95,;6.43,-3.72,;7.76,-2.95,;7.76,-1.41,;6.43,-.64,;6.43,.9,;5.09,-1.41,;3.76,-.64,;2.43,-1.41,;1.09,-.64,;1.09,.9,;-.24,1.67,;-1.57,.9,;-1.57,-.64,;-.24,-1.41,;-2.91,1.67,;-2.91,3.21,;-4.24,3.98,;-5.58,3.21,;-6.91,3.98,;-8.24,3.21,;-8.24,1.67,;-9.58,3.98,;-5.58,1.67,;-4.24,.9,)|
InChI key: FUIYMYNYUHVDPT-HDJSIYSDSA-N
共显示4个结果
供应商规格单价货期纯度操作
TargetMol
SC
3221-3天 购物车
BIONET-Key Organics
BB
-3-5周点击询价
AA Blocks
BB
-3-5周点击询价
Mcule
SC
1784-5周 购物车
TargetMol | Target Loading
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