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Barasertib (AZD1152-HQPA),Aurora B激酶抑制剂CAS号 : 722544-51-6 Compound CID : 16007391分子式: C26H30FN7O3 分子量: 507.56IUPAC Name: 2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamideSMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOInChIKey: QYZOGCMHVIGURT-UHFFFAOYSA-NInChI: InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
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阿帕芬特CAS号 : 105219-56-5 Compound CID : 65889分子式: C22H22ClN5O2S 分子量: 455.96IUPAC Name: 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-oneSMILES: CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5ClInChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-NInChI: InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
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阿仑膦酸钠三水合物CAS号 : 121268-17-5 Compound CID : 23681107分子式: C4H12NaNO7P2·3H2O 分子量: 325.12IUPAC Name: sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrateSMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-MInChI: InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1
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1-氨基环丁烷羧酸CAS号 : 22264-50-2分子式: H2NC4H6CO2H 分子量: 115.13IUPAC Name: 1-aminocyclobutane-1-carboxylic acidSMILES: C1CC(C1)(C(=O)O)NInChIKey: FVTVMQPGKVHSEY-UHFFFAOYSA-NInChI: InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
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长川霉素CAS号 : 104987-12-4 Compound CID : 5282071分子式: C43H69NO12 分子量: 792.01IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneSMILES: CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)CInChIKey: ZDQSOHOQTUFQEM-NURRSENYSA-NInChI: InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
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2,2-偶氮二(2-甲基丙基咪)二盐酸盐CAS号 : 2997-92-4分子式: C8H18N6 · 2HCl 分子量: 271.19IUPAC Name: 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;dihydrochlorideSMILES: CC(C)(C(=N)N)N=NC(C)(C)C(=N)N.Cl.ClInChIKey: LXEKPEMOWBOYRF-UHFFFAOYSA-NInChI: InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H
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N-[3-(乙酰巯基)-(2S)-甲基丙酰基]-L-脯氨酸CAS号 : 64838-55-7 Compound CID : 689016分子式: C11H17NO4S·xH2O 分子量: 259.32IUPAC Name: (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acidSMILES: CC(CSC(=O)C)C(=O)N1CCCC1C(=O)OInChIKey: ZNQRGUYIKSRYCI-APPZFPTMSA-NInChI: InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m1/s1
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氧化苦参碱CAS号 : 16837-52-8分子式: C15H24N2O2 分子量: 264.36IUPAC Name: (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-oneSMILES: C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-NInChI: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
![N-[3-(乙酰巯基)-(2S)-甲基丙酰基]-L-脯氨酸](https://mgt-dev-zzt.env.aladdin-e.com/media/catalog/product/cache/5cebb9429cfefb26230b29f242aa3132/A/1/A113970.png)
