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IMD 0354,IKKβ抑制剂分子式: C15H8ClF6NO2 分子量: 383.67IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OInChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-NInChI: InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
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SB 265610,CXCR2拮抗剂CAS号 : 211096-49-0 Compound CID : 9841667分子式: C14H9BrN6O 分子量: 357.16IUPAC Name: 1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)ureaSMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C3=NNN=C23)C#N)BrInChIKey: SEDUMQWZEOMXSO-UHFFFAOYSA-NInChI: InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
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SB 332235,CXCR2拮抗剂CAS号 : 276702-15-9 Compound CID : 9887803分子式: C13H10Cl3N3O4S 分子量: 410.66IUPAC Name: 1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)ureaSMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)OInChIKey: WTLRWOHEKQGKDS-UHFFFAOYSA-NInChI: InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
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NVP CXCR2 20,CXCR2拮抗剂CAS号 : 1029521-30-9 Compound CID : 135907764分子式: C15H11F2N3OS 分子量: 319.33IUPAC Name: 4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrileSMILES: C1CC1C2=C(C(=O)NC(=N2)SCC3=C(C(=CC=C3)F)F)C#NInChIKey: PHHZYKZFEBRXAL-UHFFFAOYSA-NInChI: InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)
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AZ 10397767,CXCR2拮抗剂CAS号 : 333742-63-5 Compound CID : 11858154分子式: C15H14ClFN4O2S2 分子量: 400.88IUPAC Name: 5-[(3-chloro-2-fluorophenyl)methylsulfanyl]-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-oneSMILES: CC(CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)Cl)FInChIKey: KHTUORKUWBDRBX-SSDOTTSWSA-NInChI: InChI=1S/C15H14ClFN4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
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IMD 0354CAS号 : 978-62-1(DMSO)分子式: C15H8ClF6NO2 分子量: 383.67SMILES: OC1=C(C=C(Cl)C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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SB225002CAS号 : 182498-32-4(DMSO)分子式: C13H10BrN3O4 分子量: 352.14SMILES: OC1=CC(=CC=C1NC(=O)NC2=C(Br)C=CC=C2)[N+]([O-])=O
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AZD5069CAS号 : 878385-84-3 Compound CID : 56645576分子式: C18H22F2N4O5S2 分子量: 476.52IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamideSMILES: CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)FInChIKey: QZECRCLSIGFCIO-RISCZKNCSA-NInChI: InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
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BX 430CAS号 : 688309-70-8 Compound CID : 2810999分子式: C15H15Br2N3O 分子量: 413.11IUPAC Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylureaSMILES: CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CN=CC=C2)BrInChIKey: JFNKIJKRXKPQCC-UHFFFAOYSA-NInChI: InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
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5'-三磷酸腺苷CAS号 : 56-65-5(Water) Compound CID : 5957分子式: C10H16N5O13P3 分子量: 507.18IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NInChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-NInChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)ureaCAS号 : 468064-37-1 Compound CID : 9953415分子式: C14H9Br2N3O2 分子量: 411.05IUPAC Name: 1-(3-bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)ureaSMILES: C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)C#N)Br)O)BrInChIKey: JZBNYZCKVBXHSV-UHFFFAOYSA-NInChI: InChI=1S/C14H9Br2N3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
