Name: Onatasertib
Rating: 5 (10 reviews)

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HIT ID:HIT212005398
Cas No:1228013-30-6
常用名:Onatasertib
别名:CC-223, CC223, CC 223
IUPAC:7-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(1r,4r)-4-methoxycyclohexyl]-1H,2H,3H,4H-[1,4]diazino[2,3-b]pyrazin-2-one
IUPAC:7-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(1r,4r)-4-methoxycyclohexyl]-1H,2H,3H,4H-[1,4]diazino[2,3-b]pyrazin-2-one
InChI key:UFKLYTOEMRFKAD-SHTZXODSSA-N

分子式:C21H27N5O3
分子量:397.479
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:1.1894336
SMILES:CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |wU:2.1,wD:5.8,(-3.45,5.03,;-2.12,4.26,;-2.12,2.72,;-.78,1.95,;-.78,.41,;-2.12,-.36,;-3.45,.41,;-3.45,1.95,;-2.12,-1.9,;-3.45,-2.67,;-4.78,-1.9,;-3.45,-4.21,;-2.12,-4.98,;-.78,-4.21,;.55,-4.98,;1.89,-4.21,;1.89,-2.67,;.55,-1.9,;-.78,-2.67,;3.22,-1.9,;4.55,-2.67,;5.89,-1.9,;5.89,-.36,;4.55,.41,;3.22,-.36,;7.22,.41,;8.55,1.18,;7.99,-.92,;6.45,1.75,)|
SMILES:CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |wU:2.1,wD:5.8,(-3.45,5.03,;-2.12,4.26,;-2.12,2.72,;-.78,1.95,;-.78,.41,;-2.12,-.36,;-3.45,.41,;-3.45,1.95,;-2.12,-1.9,;-3.45,-2.67,;-4.78,-1.9,;-3.45,-4.21,;-2.12,-4.98,;-.78,-4.21,;.55,-4.98,;1.89,-4.21,;1.89,-2.67,;.55,-1.9,;-.78,-2.67,;3.22,-1.9,;4.55,-2.67,;5.89,-1.9,;5.89,-.36,;4.55,.41,;3.22,-.36,;7.22,.41,;8.55,1.18,;7.99,-.92,;6.45,1.75,)|

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