Name: LY2857785
Rating: 5 (10 reviews)

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HIT ID:HIT212036816
Cas No:1619903-54-6
常用名:LY2857785
IUPAC:(1r,4r)-N1-{4-[2-methyl-3-(propan-2-yl)-2H-indazol-5-yl]pyrimidin-2-yl}-N4-(oxan-4-yl)cyclohexane-1,4-diamine
IUPAC:(1r,4r)-N1-{4-[2-methyl-3-(propan-2-yl)-2H-indazol-5-yl]pyrimidin-2-yl}-N4-(oxan-4-yl)cyclohexane-1,4-diamine
InChI key:LHIUZPIDLZYPRL-MXVIHJGJSA-N

分子式:C26H36N6O
分子量:448.615
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.8240557
SMILES:CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |wU:19.20,wD:22.27,(-8.55,-.62,;-7.05,-.94,;-6.02,.2,;-6.57,-2.41,;-7.48,-3.65,;-9.02,-3.65,;-6.57,-4.9,;-5.11,-4.42,;-3.77,-5.19,;-2.44,-4.42,;-2.44,-2.88,;-3.77,-2.11,;-5.11,-2.88,;-1.11,-2.11,;.23,-2.88,;1.56,-2.11,;1.56,-.57,;.23,.2,;.23,1.74,;1.56,2.51,;1.56,4.05,;2.89,4.82,;4.23,4.05,;4.23,2.51,;2.89,1.74,;5.56,4.82,;6.9,4.05,;8.23,4.82,;9.56,4.05,;9.56,2.51,;8.23,1.74,;6.9,2.51,;-1.11,-.57,)|
SMILES:CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |wU:19.20,wD:22.27,(-8.55,-.62,;-7.05,-.94,;-6.02,.2,;-6.57,-2.41,;-7.48,-3.65,;-9.02,-3.65,;-6.57,-4.9,;-5.11,-4.42,;-3.77,-5.19,;-2.44,-4.42,;-2.44,-2.88,;-3.77,-2.11,;-5.11,-2.88,;-1.11,-2.11,;.23,-2.88,;1.56,-2.11,;1.56,-.57,;.23,.2,;.23,1.74,;1.56,2.51,;1.56,4.05,;2.89,4.82,;4.23,4.05,;4.23,2.51,;2.89,1.74,;5.56,4.82,;6.9,4.05,;8.23,4.82,;9.56,4.05,;9.56,2.51,;8.23,1.74,;6.9,2.51,;-1.11,-.57,)|

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