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米替福新CAS号 : 58066-85-6 Compound CID : 3599分子式: C21H46NO4P 分子量: 407.568IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)CInChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-NInChI: InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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雷帕霉素CAS号 : 53123-88-9分子式: C51H79NO13 分子量: 914.19IUPAC Name: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentoneSMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OCInChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-NInChI: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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CP 424174,细胞因子释放抑制药物CAS号 : 210825-31-3 Compound CID : 9911728分子式: C22H29ClN2O4S 分子量: 452.99IUPAC Name: 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylureaSMILES: CC(C)C1=CC(=CC(=C1NC(=O)NS(=O)(=O)C2=CC=CC(=C2)C(C)(C)O)C(C)C)ClInChIKey: YRSBLSHMKVQWHP-UHFFFAOYSA-NInChI: InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)
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3-(甲基磺酰基)丙腈CAS号 : 54863-37-5 Compound CID : 12714644分子式: C4H7NO2S 分子量: 133.17IUPAC Name: 3-methylsulfonylpropanenitrileSMILES: CS(=O)(=O)CCC#NInChIKey: LQFRYKBDZNPJSW-UHFFFAOYSA-NInChI: InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
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CY 09,NLRP3抑制剂CAS号 : 1073612-91-5 Compound CID : 75070350分子式: C19H12F3NO3S2 分子量: 423.43IUPAC Name: 4-[[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acidSMILES: C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=SInChIKey: DJTINRHPPGAPLD-UHFFFAOYSA-NInChI: InChI=1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)
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MCC950CAS号 : 210826-40-7 Compound CID : 9910393分子式: C20H24N2O5S 分子量: 404.48IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylureaSMILES: CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)OInChIKey: HUUSXLKCTQDPGL-UHFFFAOYSA-NInChI: InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
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MCC950CAS号 : 210826-40-7 Compound CID : 9910393分子式: C20H24N2O5S 分子量: 404.48IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylureaSMILES: CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)OInChIKey: HUUSXLKCTQDPGL-UHFFFAOYSA-NInChI: InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
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米替福新CAS号 : 58066-85-6 Compound CID : 3599分子式: C21H46NO4P 分子量: 407.568IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)CInChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-NInChI: InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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SAFit1CAS号 : 1643125-32-9(DMSO)分子式: C42H53NO11 分子量: 747.87SMILES: COC1=C(C=C(C=C1)CCC(C2=CC(=CC=C2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(C4CCCCC4)C5=CC(=C(C(=C5)OC)OC)OC)OC
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SAFit1CAS号 : 1643125-32-9 Compound CID : 86277875分子式: C42H53NO11 分子量: 747.87IUPAC Name: 2-[3-[(1R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acidSMILES: COC1=C(C=C(C=C1)CCC(C2=CC(=CC=C2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(C4CCCCC4)C5=CC(=C(C(=C5)OC)OC)OC)OCInChIKey: OEQZPFWOEOOISR-AKTKKGGCSA-NInChI: InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1
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