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10Z-Hymenialdisine,泛激酶抑制剂CAS号 : 82005-12-7分子式: C11H10BrN5O2 分子量: 324.13IUPAC Name: (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-oneSMILES: C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)BrInChIKey: ATBAETXFFCOZOY-DAXSKMNVSA-NInChI: InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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CHIR-99021 (CT99021)CAS号 : 252917-06-9(DMSO)分子式: C22H18Cl2N8 分子量: 465.34SMILES: CC1=C[NH]C(=N1)C2=CN=C(NCCNC3=CC=C(C=N3)C#N)N=C2C4=CC=C(Cl)C=C4Cl
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Mirdametinib (PD0325901)CAS号 : 391210-10-9(DMSO)分子式: C16H14F3IN2O4 分子量: 482.19SMILES: OCC(O)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(=C(F)C=C1)F
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Ulixertinib (BVD-523)CAS号 : 869886-67-9(DMSO)分子式: C21H22Cl2N4O2 分子量: 433.33SMILES: CC(C)NC1=NC=C(Cl)C(=C1)C2=C[NH]C(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl
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FR 180204CAS号 : 865362-74-9 Compound CID : 11493598分子式: C18H13N7 分子量: 327.34IUPAC Name: 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amineSMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)NInChIKey: XVECMUKVOMUNLE-UHFFFAOYSA-NInChI: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
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WAY-357996CAS号 : 39582-95-1 Compound CID : 2831158分子式: C10H10O5S2 分子量: 274.31IUPAC Name: (1,1-dioxo-2,3-dihydrothiophen-3-yl) benzenesulfonateSMILES: C1C(C=CS1(=O)=O)OS(=O)(=O)C2=CC=CC=C2InChIKey: RFHUNIXPGHBTTE-UHFFFAOYSA-NInChI: InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2
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WAY-357996CAS号 : 39582-95-1 Compound CID : 2831158分子式: C10H10O5S2 分子量: 274.31IUPAC Name: (1,1-dioxo-2,3-dihydrothiophen-3-yl) benzenesulfonateSMILES: C1C(C=CS1(=O)=O)OS(=O)(=O)C2=CC=CC=C2InChIKey: RFHUNIXPGHBTTE-UHFFFAOYSA-NInChI: InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2
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PD0325901,MEK1 / 2的抑制剂CAS号 : 391210-10-9 Compound CID : 9826528分子式: C16H14F3IN2O4 分子量: 482.19IUPAC Name: N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamideSMILES: C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)OInChIKey: SUDAHWBOROXANE-SECBINFHSA-NInChI: InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
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星形孢菌素CAS号 : 62996-74-1 Compound CID : 44259分子式: C28H26N4O3 分子量: 466.53IUPAC Name: (2S,3R,4R,6R)-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)CNC6=O)NC)OCInChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-NInChI: InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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SCH772984CAS号 : 942183-80-4 Compound CID : 24866313分子式: C33H33N9O2 分子量: 587.67IUPAC Name: (3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamideSMILES: C1CN(CC1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7InChIKey: HDAJDNHIBCDLQF-RUZDIDTESA-NInChI: InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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VX-11e,ERK2抑制剂CAS号 : 896720-20-0 Compound CID : 11634725分子式: C24H20Cl2FN5O2 分子量: 500.35IUPAC Name: 4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamideSMILES: CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)ClInChIKey: WUTVMXLIGHTZJC-OAQYLSRUSA-NInChI: InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
