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A37,ALDH1A1抑制剂CAS号: 896795-60-1分子式: C21H25N3O3S2 分子量: 431.57IUPAC Name: ethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetateSMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCCC3)SC4=CC=CC=C42InChIKey: SKDRHRAYBYQVNU-UHFFFAOYSA-NInChI: 1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3
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A 286982,LFA-1 / ICAM-1相互作用的有效抑制剂CAS号: 280749-17-9分子式: C24H27N3O4S 分子量: 453.55IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-oneSMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-NInChI: 1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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A 286982CAS号: 280749-17-9分子式: C24H27N3O4S 分子量: 453.55IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-oneSMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-NInChI: 1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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NCT-505CAS号: 2231079-74-4 Compound CID : 134821685分子式: C27H28FN5O3S 分子量: 521.61IUPAC Name: 1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileSMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCC(CC4)(C#N)C5=CC=CC=C5)FInChIKey: XMNLWOQHMQRHDV-UHFFFAOYSA-NInChI: 1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3
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NCT-506CAS号: 2231098-99-8 Compound CID : 137628670分子式: C25H23FN4O3S 分子量: 478.54IUPAC Name: 1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileSMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2C4=CC=C(C=C4)C5(CC5)C#N)FInChIKey: WIXZFNIBMHEUJH-UHFFFAOYSA-NInChI: 1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
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ICAM-1-IN-1CAS号: 251994-14-6 Compound CID : 10361323分子式: C15H11BrN2O2S 分子量: 363.23IUPAC Name: 4-(4-bromophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamideSMILES: CNC(=O)C1=CC2=C(S1)C=NC=C2OC3=CC=C(C=C3)BrInChIKey: OFXAEWYLVPBGGU-UHFFFAOYSA-NInChI: 1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
