化学生物学
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UCN-01,PKC抑制剂CAS号 : 112953-11-4 Compound CID : 72271分子式: C28H26N4O4 分子量: 482.53IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-oneSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OCInChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-NInChI: InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
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2-[4-(3-甲基吡嗪-2-基)苯基] -N-[(1R)-1-[5-(2,2,2-三氟乙氧基)吡啶-2-基]乙基]乙酰胺CAS号 : 1146395-46-1 Compound CID : 42609962分子式: C22H21F3N4O2 分子量: 430.431IUPAC Name: 2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamideSMILES: CC1=NC=CN=C1C2=CC=C(C=C2)CC(=O)NC(C)C3=NC=C(C=C3)OCC(F)(F)FInChIKey: OURCOVUGQRXRTE-CQSZACIVSA-NInChI: InChI=1S/C22H21F3N4O2/c1-14(19-8-7-18(12-28-19)31-13-22(23,24)25)29-20(30)11-16-3-5-17(6-4-16)21-15(2)26-9-10-27-21/h3-10,12,14H,11,13H2,1-2H3,(H,29,30)/t14-/m1/s1
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Razaxaban盐酸盐CAS号 : 405940-76-3 Compound CID : 204101分子式: C24H21ClF4N8O2 分子量: 564.92IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;hydrochlorideSMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F.ClInChIKey: CASCTHHMARGRLB-UHFFFAOYSA-NInChI: InChI=1S/C24H20F4N8O2.ClH/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19;/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37);1H