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S3I-201,STAT3抑制剂CAS号: 501919-59-1 Compound CID : 252682分子式: C16H15NO7S 分子量: 365.36IUPAC Name: 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)OInChIKey: HWNUSGNZBAISFM-UHFFFAOYSA-NInChI: 1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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(3S,4S)-托法替尼CAS号: 1092578-47-6 Compound CID : 20111936分子式: C16H20N6O 分子量: 312.37IUPAC Name: 3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-WCQYABFASA-NInChI: 1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m0/s1
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(3S,4R)-托法替尼CAS号: 1092578-48-7 Compound CID : 9966538分子式: C16H20N6O 分子量: 312.37IUPAC Name: 3-[(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-DGCLKSJQSA-NInChI: 1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m1/s1
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Varlitinib,小分子抑制剂CAS号: 845272-21-1 Compound CID : 42642648分子式: C22H19ClN6O2S 分子量: 466.94IUPAC Name: 4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamineSMILES: CC1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)ClInChIKey: UWXSAYUXVSFDBQ-CYBMUJFWSA-NInChI: 1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
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AG 825,ErbB2抑制剂CAS号: 149092-50-2分子式: C19H15N3O3S2 分子量: 397.47IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamideSMILES: COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)NInChIKey: KXDONFLNGBQLTN-WUXMJOGZSA-NInChI: 1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
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4-[O-[(4-甲氧基苯基)磺酰基]肟] -2,6-二甲基-2,5-环己二烯-1,4-二酮CAS号: 321695-57-2分子式: C15H15NO5S 分子量: 321.35IUPAC Name: [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonateSMILES: CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)CInChIKey: VEWFTYOFWIXCIO-UHFFFAOYSA-NInChI: 1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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Tucatinib (Irbinitinib, ONT-380)CAS号: 937263-43-9 Compound CID : 51039094分子式: C26H24N8O2 分子量: 480.52IUPAC Name: 6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamineSMILES: CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5InChIKey: SDEAXTCZPQIFQM-UHFFFAOYSA-NInChI: 1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)
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Naquotinib(ASP8273)CAS号: 1448232-80-1分子式: C30H42N8O3 分子量: 562.71IUPAC Name: 6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazine-2-carboxamideSMILES: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC5CCN(C5)C(=O)C=CInChIKey: QKDCLUARMDUUKN-XMMPIXPASA-NInChI: See more
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塞利替尼（HMPL-309）CAS号: 1353644-70-8 Compound CID : 54759275分子式: C25H26N6O2 分子量: 442.51IUPAC Name: (3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamideSMILES: CN1CCC2C1CN(C2)C(=O)NC3=C(C=C4C(=C3)C(=NC=N4)NC5=CC=CC(=C5)C#C)OCInChIKey: FSXCKIBROURMFT-VGSWGCGISA-NInChI: 1S/C25H26N6O2/c1-4-16-6-5-7-18(10-16)28-24-19-11-21(23(33-3)12-20(19)26-15-27-24)29-25(32)31-13-17-8-9-30(2)22(17)14-31/h1,5-7,10-12,15,17,22H,8-9,13-14H2,2-3H3,(H,29,32)(H,26,27,28)/t17-,22+/m1/s1
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NSC-370284CAS号: 116409-29-1 Compound CID : 340208分子式: C21H25NO6 分子量: 387.43IUPAC Name: 6-[pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-olSMILES: COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4InChIKey: QCXGNLZKUHBIHD-UHFFFAOYSA-NInChI: 1S/C21H25NO6/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-6-4-5-7-22)14-10-16-17(11-15(14)23)28-12-27-16/h8-11,20,23H,4-7,12H2,1-3H3
![4-[O-[(4-甲氧基苯基)磺酰基]肟] -2,6-二甲基-2,5-环己二烯-1,4-二酮](https://mgt-en248.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/L/2/L287369.png)
