LU AA33810
HIT212709128
sdf文件结构编辑类似物检索
HIT ID: HIT212709128
Cas No: 304008-29-5
分子式: C19H25N3O2S3
分子量: 423.61
常用名: LU AA33810
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 2.2807636
IUPAC: N-{[(1r,4r)-4-{[(4Z)-5,9-dithia-3-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),10,12-tetraen-4-ylidene]amino}cyclohexyl]methyl}methanesulfonamide
IUPAC: N-{[(1r,4r)-4-{[(4Z)-5,9-dithia-3-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),10,12-tetraen-4-ylidene]amino}cyclohexyl]methyl}methanesulfonamide
SMILES: [H][C@]1(CNS(C)(=O)=O)CC[C@@]([H])(CC1)\N=c1\[nH]c-2c(CCSc3ccccc-23)s1 |wU:1.1,10.10,wD:1.0,10.14,(16.3,.85,;15.14,-.16,;16.59,-.66,;17.76,.34,;19.21,-.16,;20.67,-.67,;19.72,1.29,;18.7,-1.62,;13.97,-1.16,;12.52,-.66,;12.23,.85,;11.94,2.37,;13.39,1.86,;14.85,1.35,;10.77,1.36,;9.61,.35,;8.11,.71,;7.31,-.61,;8.32,-1.78,;8.03,-3.29,;6.67,-4.01,;5.26,-3.4,;4.86,-1.91,;3.33,-1.74,;2.71,-.33,;3.62,.91,;5.15,.74,;5.77,-.67,;9.74,-1.18,)|
SMILES: [H][C@]1(CNS(C)(=O)=O)CC[C@@]([H])(CC1)\N=c1\[nH]c-2c(CCSc3ccccc-23)s1 |wU:1.1,10.10,wD:1.0,10.14,(16.3,.85,;15.14,-.16,;16.59,-.66,;17.76,.34,;19.21,-.16,;20.67,-.67,;19.72,1.29,;18.7,-1.62,;13.97,-1.16,;12.52,-.66,;12.23,.85,;11.94,2.37,;13.39,1.86,;14.85,1.35,;10.77,1.36,;9.61,.35,;8.11,.71,;7.31,-.61,;8.32,-1.78,;8.03,-3.29,;6.67,-4.01,;5.26,-3.4,;4.86,-1.91,;3.33,-1.74,;2.71,-.33,;3.62,.91,;5.15,.74,;5.77,-.67,;9.74,-1.18,)|
InChI key: UWSBTSAJZMIHBL-HDJSIYSDSA-N
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