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盐酸环胞苷CAS号 : 10212-25-6 Compound CID : 25050分子式: C9H11N3O4 · HCl 分子量: 261.66IUPAC Name: (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochlorideSMILES: C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.ClInChIKey: KZOWNALBTMILAP-JBMRGDGGSA-NInChI: InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1
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西多福韦CAS号 : 113852-37-2 Compound CID : 60613分子式: C8H14N3O6P 分子量: 279.19IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acidSMILES: C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)OInChIKey: VWFCHDSQECPREK-LURJTMIESA-NInChI: InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
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5-氟-2'-脱氧尿苷分子式: C9H11FN2O5 分子量: 246.19IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneSMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)OInChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-NInChI: InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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更昔洛韦 水合物CAS号 : 82410-32-0 Compound CID : 135398740分子式: C9H13N5O4 分子量: 255.23IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-oneSMILES: C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)NInChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-NInChI: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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溴夫定CAS号 : 69304-47-8 Compound CID : 446727分子式: C11H13BrN2O5 分子量: 333.14IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneSMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)OInChIKey: ODZBBRURCPAEIQ-PIXDULNESA-NInChI: InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
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莱特莫韦CAS号 : 917389-32-3 Compound CID : 45138674分子式: C29H28F4N4O4 分子量: 572.55IUPAC Name: 2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acidSMILES: COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)OInChIKey: FWYSMLBETOMXAG-QHCPKHFHSA-NInChI: InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1
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二乙三胺五乙酸钙三钠盐水合物CAS号 : 207226-35-5 Compound CID : 17749130分子式: C14H18CaN3Na3O10·xH2O 分子量: 497.36 (as Anhydrous)IUPAC Name: calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;hydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Ca+2]InChIKey: AWBWYUNJDQLQGT-UHFFFAOYSA-IInChI: InChI=1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
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ML324,JMJD2抑制剂CAS号 : 1222800-79-4 Compound CID : 44143209分子式: C21H23N3O2 分子量: 349.43IUPAC Name: N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamideSMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)OInChIKey: QDBVSOZTVKXUES-UHFFFAOYSA-NInChI: InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
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双辛基马来酰亚胺 IVCAS号 : 119139-23-0 Compound CID : 2399分子式: C20H13N3O2 分子量: 327.34IUPAC Name: 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dioneSMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54InChIKey: DQYBRTASHMYDJG-UHFFFAOYSA-NInChI: InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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BX 513盐酸盐CAS号 : 1216540-18-9 Compound CID : 56972186分子式: C28H29ClN2O.HCl 分子量: 481.46IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochlorideSMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.ClInChIKey: SSZWNUGWOGONQJ-UHFFFAOYSA-NInChI: InChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H
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依诺他滨CAS号 : 55726-47-1 Compound CID : 71734分子式: C31H55N3O6 分子量: 565.78IUPAC Name: N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamideSMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)OInChIKey: SAMRUMKYXPVKPA-VFKOLLTISA-NInChI: InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1
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BRACO 19 三盐酸盐CAS号 : 1177798-88-7 Compound CID : 10349800分子式: C35H43N7O2•3HCl 分子量: 703.14IUPAC Name: N-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide;trihydrochlorideSMILES: CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6.Cl.Cl.ClInChIKey: MJAPNWJRLLDPAB-UHFFFAOYSA-NInChI: InChI=1S/C35H43N7O2.3ClH/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42;;;/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);3*1H