Name: SB-414796
Rating: 5 (10 reviews)

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HIT ID:HIT212710479
Cas No:264262-71-7
常用名:SB-414796
别名:SB414796
IUPAC:3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1r,4r)-4-[2-(7-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)ethyl]cyclohexyl]benzamide
IUPAC:3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1r,4r)-4-[2-(7-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)ethyl]cyclohexyl]benzamide
InChI key:ZHQUFEJLPBTKSM-WVPZODRTSA-N

分子式:C29H36N4O4S
分子量:536.69
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:3.9698014
SMILES:Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1 |wU:18.20,wD:15.16,(18.69,-8.16,;18.86,-6.63,;17.71,-5.6,;18.34,-4.19,;19.87,-4.35,;20.19,-5.86,;17.57,-2.86,;18.34,-1.52,;17.57,-.19,;16.03,-.19,;15.26,-1.52,;16.03,-2.86,;13.72,-1.52,;12.95,-2.86,;12.95,-.19,;11.41,-.19,;10.64,1.14,;9.1,1.14,;8.33,-.19,;6.79,-.19,;6.02,-1.52,;4.48,-1.52,;3.81,-.14,;2.31,.21,;1.1,-.75,;-.23,.02,;-1.56,-.75,;-1.56,-2.29,;-.23,-3.06,;1.1,-2.29,;2.31,-3.25,;3.81,-2.91,;-2.9,-3.06,;-4.23,-3.83,;-2.13,-4.4,;-3.67,-1.73,;9.1,-1.52,;10.64,-1.52,)|
SMILES:Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1 |wU:18.20,wD:15.16,(18.69,-8.16,;18.86,-6.63,;17.71,-5.6,;18.34,-4.19,;19.87,-4.35,;20.19,-5.86,;17.57,-2.86,;18.34,-1.52,;17.57,-.19,;16.03,-.19,;15.26,-1.52,;16.03,-2.86,;13.72,-1.52,;12.95,-2.86,;12.95,-.19,;11.41,-.19,;10.64,1.14,;9.1,1.14,;8.33,-.19,;6.79,-.19,;6.02,-1.52,;4.48,-1.52,;3.81,-.14,;2.31,.21,;1.1,-.75,;-.23,.02,;-1.56,-.75,;-1.56,-2.29,;-.23,-3.06,;1.1,-2.29,;2.31,-3.25,;3.81,-2.91,;-2.9,-3.06,;-4.23,-3.83,;-2.13,-4.4,;-3.67,-1.73,;9.1,-1.52,;10.64,-1.52,)|

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