Name: Lanabecestat camsylate
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT214317976
Cas No:1522418-41-2
常用名:Lanabecestat camsylate
别名:LY-3314814 camsylate, LY3314814 camsylate, LY 3314814 camsylate
别名:LY-3314814 camsylate, LY3314814 camsylate, LY 3314814 camsylate
IUPAC:(1r,1'R,4r)-4-methoxy-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine; [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid
IUPAC:(1r,1'R,4r)-4-methoxy-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine; [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid
InChI key:PEOILZBROWEGCC-FUGZSDNTSA-N

分子式:C36H44N4O5S
分子量:644.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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SMILES:[H][C@@]12CC[C@@](CS(O)(=O)=O)(C(=O)C1)C2(C)C.CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |wU:1.0,21.22,18.18,wD:4.4,29.32,c:37,t:33,(-.72,-3.24,;-.72,-1.7,;.64,-2.39,;1.19,-1.22,;-.29,-.35,;.12,1.13,;1.61,1.51,;2,.02,;3.11,1.89,;1.23,3,;-1.49,-1.2,;-2.63,-.17,;-2.17,-2.43,;-.59,1.17,;.65,2.08,;-1.95,1.89,;21.52,3.01,;20.75,1.68,;19.21,1.7,;18.43,.37,;16.94,.59,;16.13,1.72,;15.23,2.97,;13.76,2.5,;12.43,3.28,;11.09,2.52,;11.08,.98,;12.41,.2,;13.75,.96,;15.21,.48,;14.3,-.76,;15.2,-2.02,;14.71,-3.48,;16.66,-1.55,;17.9,-2.46,;16.67,-.01,;9.74,.22,;8.42,1,;7.08,.24,;7.07,-1.3,;8.4,-2.08,;9.73,-1.32,;8.38,-3.62,;8.37,-5.16,;8.36,-6.7,;16.9,3.04,;18.44,3.03,)|

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