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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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AH 6809,EP1和EP2拮抗剂CAS号 : 33458-93-4 Compound CID : 119461分子式: C17H14O5 分子量: 298.29IUPAC Name: 9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acidSMILES: CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OInChIKey: AQFFXPQJLZFABJ-UHFFFAOYSA-NInChI: InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
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伊洛前列素CAS号 : 78919-13-8 Compound CID : 5311181分子式: C22H32O4 分子量: 360.49IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acidSMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)OInChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-NInChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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9,11-二脱氧基-11α,9α-亚甲基环氧前列腺素 F2αCAS号 : 56985-40-1 Compound CID : 5311493分子式: C21H34O4 分子量: 350.49IUPAC Name: (Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)OInChIKey: LQANGKSBLPMBTJ-BRSNVKEHSA-NInChI: InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
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AMG 853,双重CRTH2和前列腺素D2(PGD2)受体拮抗剂CAS号 : 1169483-24-2 Compound CID : 42641863分子式: C28H27Cl2FN2O6S 分子量: 609.49IUPAC Name: 2-[4-[4-(tert-butylcarbamoyl)-2-[(2-chloro-4-cyclopropylphenyl)sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acidSMILES: CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)F)CC(=O)O)Cl)NS(=O)(=O)C3=C(C=C(C=C3)C4CC4)ClInChIKey: PFWVGKROPKKEDW-UHFFFAOYSA-NInChI: InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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AsapiprantCAS号 : 932372-01-5 Compound CID : 59232326分子式: C24H27N3O7S 分子量: 501.55IUPAC Name: 2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acidSMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)OInChIKey: ZMZNWNTZRWXTJU-UHFFFAOYSA-NInChI: InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
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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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