小分子和化合物库
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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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LG 101506,RXR调制器CAS号 : 331248-11-4 Compound CID : 9845057分子式: C25H34F2O3 分子量: 420.53IUPAC Name: (2E,4E,6Z)-7-[3,5-ditert-butyl-2-(2,2-difluoroethoxy)phenyl]-3-methylocta-2,4,6-trienoic acidSMILES: CC(=CC(=O)O)C=CC=C(C)C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)OCC(F)FInChIKey: BHIBZAZKKARFIM-XRYBSMBUSA-NInChI: InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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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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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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维生素A酸CAS号 : 302-79-4(DMSO)分子式: C20H28O2 分子量: 300.4SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1
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舒林酸CAS号 : 38194-50-2(DMSO)分子式: C20H17FO3S 分子量: 356.41SMILES: CC1=C(CC(O)=O)C2=C(C=CC(=C2)F)\C1=C/C3=CC=C(C=C3)[S](C)=O
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蓓萨罗丁CAS号 : 153559-49-0(DMSO)分子式: C24H28O2 分子量: 348SMILES: CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(O)=O)C(C)(C)CCC2(C)C
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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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AGN194204CAS号 : 220619-73-8 Compound CID : 9863341分子式: C24H32O2 分子量: 352.51IUPAC Name: (2E,4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acidSMILES: CC(=CC(=O)O)C=CC1CC1(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)CInChIKey: BOOOLEGQBVUTKC-NVQSDHBMSA-NInChI: InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
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