Name: CNX-1351
Rating: 5 (10 reviews)

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HIT ID:HIT212650492
Cas No:1276105-89-5
常用名:CNX-1351
别名:1-[4-[[2-(1H-吲唑-4-基)-4-(4-吗啉基)噻吩并[3,2-D]嘧啶-6-基]甲基]-1-哌嗪基]-6-甲基-5-庚烯-1,4-二酮
别名:1-[4-[[2-(1H-吲唑-4-基)-4-(4-吗啉基)噻吩并[3,2-D]嘧啶-6-基]甲基]-1-哌嗪基]-6-甲基-5-庚烯-1,4-二酮
IUPAC:1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione
IUPAC:1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione
InChI key:DLNUPKDFXMWRFP-UHFFFAOYSA-N

分子式:C30H35N7O3S
分子量:573.72
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:4.397713
SMILES:CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 |(8.89,21.93,;8.12,20.6,;8.89,19.27,;6.58,20.6,;5.81,19.27,;4.27,19.27,;6.58,17.93,;5.81,16.6,;6.58,15.27,;8.12,15.27,;5.81,13.93,;6.58,12.6,;5.81,11.26,;4.27,11.26,;3.5,9.93,;4.27,8.6,;3.64,7.19,;4.79,6.16,;4.79,4.62,;6.12,3.85,;7.45,4.62,;7.45,6.16,;8.79,6.93,;8.79,8.47,;10.12,9.24,;11.46,8.47,;11.46,6.93,;10.12,6.16,;6.12,6.93,;5.8,8.44,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;3.5,12.6,;4.27,13.93,)|
SMILES:CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 |(8.89,21.93,;8.12,20.6,;8.89,19.27,;6.58,20.6,;5.81,19.27,;4.27,19.27,;6.58,17.93,;5.81,16.6,;6.58,15.27,;8.12,15.27,;5.81,13.93,;6.58,12.6,;5.81,11.26,;4.27,11.26,;3.5,9.93,;4.27,8.6,;3.64,7.19,;4.79,6.16,;4.79,4.62,;6.12,3.85,;7.45,4.62,;7.45,6.16,;8.79,6.93,;8.79,8.47,;10.12,9.24,;11.46,8.47,;11.46,6.93,;10.12,6.16,;6.12,6.93,;5.8,8.44,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;3.5,12.6,;4.27,13.93,)|

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