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磷酸氯喹分子式: C18H26ClN3·2H3PO4 分子量: 515.86IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acidSMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)OInChIKey: QKICWELGRMTQCR-UHFFFAOYSA-NInChI: 1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
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卡莫他特甲磺酸盐CAS号: 59721-29-8分子式: C20H22N4O5.CH4O3S 分子量: 494.52IUPAC Name: [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acidSMILES: CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)OInChIKey: FSEKIHNIDBATFG-UHFFFAOYSA-NInChI: 1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)
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乙酸地塞米松分子式: C24H31FO6 分子量: 434.5IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateSMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)CInChIKey: AKUJBENLRBOFTD-RPRRAYFGSA-NInChI: 1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1
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丹诺普韦CAS号: 850876-88-9分子式: C35H46FN5O9S 分子量: 731.85IUPAC Name: See moreSMILES: CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6InChIKey: ZVTDLPBHTSMEJZ-JSZLBQEHSA-NInChI: See more
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D-泛硫乙胺无水CAS号: 16816-67-4 EC号: 240-842-8分子式: C22H42N4O8S2 分子量: 554.72IUPAC Name: (2R)-N-[3-[2-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamideSMILES: OCC(C)(C)[C@@H](O)C(NCCC(NCCSSCCNC(CCNC([C@H](O)C(C)(C)CO)=O)=O)=O)=OInChIKey: DJWYOLJPSHDSAL-ROUUACIJSA-NInChI: 1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1
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地塞米松分子式: C22H29FO5 分子量: 392.46IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneSMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)CInChIKey: UREBDLICKHMUKA-CXSFZGCWSA-NInChI: 1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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二氢丹参酮ⅠCAS号: 87205-99-0分子式: C18H14O3 分子量: 278.3IUPAC Name: (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CInChIKey: HARGZZNYNSYSGJ-JTQLQIEISA-NInChI: 1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
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E-64d,不可逆的细胞渗透性组织蛋白酶B和L抑制剂CAS号: 88321-09-9分子式: C17H30N2O5 分子量: 342.43IUPAC Name: ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylateSMILES: CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NCCC(C)CInChIKey: SRVFFFJZQVENJC-IHRRRGAJSA-NInChI: 1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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阿洛司他丁酸CAS号: 76684-89-4分子式: C15H26N2O5 分子量: 314.38IUPAC Name: (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acidSMILES: CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)OInChIKey: SCMSYZJDIQPSDI-SRVKXCTJSA-NInChI: 1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
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银杏酸(C17:1)CAS号: 111047-30-4分子式: C24H38O3 分子量: 374.56IUPAC Name: 2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acidSMILES: CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)OInChIKey: MBYNDKVOZOAOIS-FPLPWBNLSA-NInChI: 1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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