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花生四烯酸(AA)分子式: C20H32O2 分子量: 304.47IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OInChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-NInChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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花生四烯酸(AA)分子式: C20H32O2 分子量: 304.47IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OInChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-NInChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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依鲁替尼 (PCI-32765)CAS号: 936563-96-1分子式: C25H24N6O2 分子量: 440.5IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-oneSMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)NInChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-NInChI: 1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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星形孢菌素CAS号: 62996-74-1 Compound CID : 44259分子式: C28H26N4O3 分子量: 466.53IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-oneSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OCInChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-NInChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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达沙替尼CAS号: 302962-49-8 EC号: 801-607-0分子式: C22H26ClN7O2S 分子量: 488.01IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-NInChI: 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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AVL-292CAS号: 1202757-89-8分子式: C22H22FN5O3 分子量: 423.44IUPAC Name: N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamideSMILES: COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)FInChIKey: KXBDTLQSDKGAEB-UHFFFAOYSA-NInChI: 1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
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1-氯-2,2,2-三氟乙基二氟甲基醚CAS号: 26675-46-7分子式: C3H2ClF5O 分子量: 184.49IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethaneSMILES: C(C(F)(F)F)(OC(F)F)ClInChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-NInChI: 1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
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花生四烯酰乙醇胺(AEA)CAS号: 94421-68-8分子式: C22H37NO2 分子量: 347.543IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamideSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOInChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-NInChI: 1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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人血管紧张素II相对分子质量标准物质CAS号: 4474-91-3分子式: C50H71N13O12 分子量: 1046.18IUPAC Name: See moreSMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NInChIKey: CZGUSIXMZVURDU-JZXHSEFVSA-NInChI: See more
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PK-THPP,K2P9.1(TASK-3)通道阻滞剂CAS号: 1332454-07-5 Compound CID : 53464059分子式: C29H32N4O2 分子量: 468.59IUPAC Name: 1-[1-[6-(4-phenylbenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]butan-1-oneSMILES: CCCC(=O)C1CCN(CC1)C2=NC=NC3=C2CN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5InChIKey: CJZGRIRZVHNUSM-UHFFFAOYSA-NInChI: 1S/C29H32N4O2/c1-2-6-27(34)23-13-16-32(17-14-23)28-25-19-33(18-15-26(25)30-20-31-28)29(35)24-11-9-22(10-12-24)21-7-4-3-5-8-21/h3-5,7-12,20,23H,2,6,13-19H2,1H3
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ML 365,K2P3.1(TASK-1)通道阻滞剂CAS号: 947914-18-3分子式: C22H20N2O3 分子量: 360.41IUPAC Name: 2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamideSMILES: CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OCInChIKey: UTAJHKSGYJSZBR-UHFFFAOYSA-NInChI: 1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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