Name: Autotaxin-IN-3
Rating: 5 (10 reviews)

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HIT ID:HIT212708331
Cas No:2156655-68-2
常用名:Autotaxin-IN-3
IUPAC:2-(5-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl}-1,3,4-oxadiazol-2-yl)-1-{3H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridin-5-yl}ethan-1-one
IUPAC:2-(5-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl}-1,3,4-oxadiazol-2-yl)-1-{3H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridin-5-yl}ethan-1-one
InChI key:YJLUBHOZZTYQIP-UHFFFAOYSA-N

分子式:C22H21N9O2
分子量:443.471
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:0.6134965
SMILES:O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2nn[nH]c2C1
SMILES:O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2nn[nH]c2C1

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