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穗花杉双黄酮CAS号: 1617-53-4分子式: C30H18O10 分子量: 538.46IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)OInChIKey: YUSWMAULDXZHPY-UHFFFAOYSA-NInChI: 1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
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利巴韦林CAS号: 36791-04-5 Compound CID : 37542分子式: C8H12N4O5 分子量: 244.2IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamideSMILES: C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)NInChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-NInChI: 1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
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罗氟司特CAS号: 162401-32-3 Compound CID : 449193分子式: C17H14Cl2F2N2O3 分子量: 403.21IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamideSMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)FInChIKey: MNDBXUUTURYVHR-UHFFFAOYSA-NInChI: 1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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TMC353121CAS号: 857066-90-1 Compound CID : 11249932分子式: C32H42N6O3 分子量: 558.71IUPAC Name: 2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-olSMILES: CC1=CC(=C(C=C1)CCCO)NCC2=CC3=C(C=C2)N=C(N3CC4=C(C=CC(=N4)C)O)NCCCN5CCOCC5InChIKey: DKORMNNYNRPTBJ-UHFFFAOYSA-NInChI: 1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36)
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1-溴十七氟辛烷分子式: CF3(CF2)7Br 分子量: 498.96IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctaneSMILES: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)FInChIKey: WTWWXOGTJWMJHI-UHFFFAOYSA-NInChI: 1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
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1-(2,3-二(噻吩-2-基)喹啉-6-基)-3-(2-甲氧基乙基)脲CAS号: 508186-14-9分子式: C20H18N4O2S2 分子量: 410.51IUPAC Name: 1-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-(2-methoxyethyl)ureaSMILES: COCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4InChIKey: CTPVNWVUAGMHEJ-UHFFFAOYSA-NInChI: 1S/C20H18N4O2S2/c1-26-9-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-11-28-17)18(23-14)16-4-2-10-27-16/h2-7,10-12H,8-9H2,1H3,(H2,21,22,25)
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Rostafuroxin,Na + / K + ATPase调节剂CAS号: 156722-18-8 Compound CID : 153976分子式: C23H34O4 分子量: 374.51IUPAC Name: (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triolSMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4(C5=COC=C5)O)O)C)OInChIKey: AEAPORIZZWBIEX-DTBDINHYSA-NInChI: 1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1
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2,2'-[[(4-羟基苯基)亚甲基]双[4-[[[(5-甲基-1H-四唑-1-基)亚氨基]甲基]甲基]苯酚CAS号: 235106-62-4 Compound CID : 135565536分子式: C25H22N10O3 分子量: 510.51IUPAC Name: 2-[[2-hydroxy-5-[(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(5-methyltetrazol-1-yl)iminomethyl]phenolSMILES: CC1=NN=NN1N=CC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)O)C4=C(C=CC(=C4)C=NN5C(=NN=N5)C)OInChIKey: BLUJRJMLDHEMRX-UHFFFAOYSA-NInChI: 1S/C25H22N10O3/c1-15-28-30-32-34(15)26-13-17-3-9-23(37)21(11-17)25(19-5-7-20(36)8-6-19)22-12-18(4-10-24(22)38)14-27-35-16(2)29-31-33-35/h3-14,25,36-38H,1-2H3
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1-溴十七氟辛烷分子式: CF3(CF2)7Br 分子量: 498.96IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctaneSMILES: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)FInChIKey: WTWWXOGTJWMJHI-UHFFFAOYSA-NInChI: 1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
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RSV604CAS号: 676128-63-5 Compound CID : 5279172分子式: C22H17FN4O2 分子量: 388.39IUPAC Name: 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]ureaSMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4FInChIKey: MTPVBMVUENFFLL-HXUWFJFHSA-NInChI: 1S/C22H17FN4O2/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H2,25,27,29)/t20-/m1/s1
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普沙托韦CAS号: 1353625-73-6 Compound CID : 58029842分子式: C24H30ClN7O3S 分子量: 532.06IUPAC Name: N-[2-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamideSMILES: CC1=CN2C(=CC(=N2)C3CCCCN3C(=O)C4=C(C=CC(=C4)Cl)NS(=O)(=O)C)N=C1N5CCC(C5)NInChIKey: GOFXWTVKPWJNGD-UWJYYQICSA-NInChI: 1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1
![2,2'-[[(4-羟基苯基)亚甲基]双[4-[[[(5-甲基-1H-四唑-1-基)亚氨基]甲基]甲基]苯酚](https://mgt-en248.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/V/3/V345133.png)
