NLRP3-IN-53
HIT218909538
sdf文件结构编辑类似物检索
HIT ID: HIT218909538
Cas No: 3044779-14-5
分子式: C22H27N5O4
分子量: 425.489
常用名: NLRP3-IN-53
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{8-[(3R)-1-ethylpiperidin-3-yl]-6H,7H,8H-pyridazino[4,3-b][1,4]oxazin-3-yl}-3-hydroxy-5-methylbenzonitrile; formic acid
IUPAC: 4-{8-[(3R)-1-ethylpiperidin-3-yl]-6H,7H,8H-pyridazino[4,3-b][1,4]oxazin-3-yl}-3-hydroxy-5-methylbenzonitrile; formic acid
SMILES: OC=O.CCN1CCC[C@H](C1)N1CCOc2cc(nnc12)-c1c(C)cc(cc1O)C#N
SMILES: OC=O.CCN1CCC[C@H](C1)N1CCOc2cc(nnc12)-c1c(C)cc(cc1O)C#N
InChI key: AOAQHROKWVFKRW-PKLMIRHRSA-N
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