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腺苷-5′-二磷酸 钠盐CAS号 : 20398-34-9 Compound CID : 12797869分子式: C10H15N5O10P2.xNa 分子量: 427.20(free)IUPAC Name: trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphateSMILES: [Na].Nc1ncnc2n(cnc12)C3OC(COP(O)(=O)OP(O)(O)=O)C(O)C3OInChIKey: KWEUUBDPVVHQAL-MSQVLRTGSA-KInChI: InChI=1S/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
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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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精氨酸-甘氨酸-天冬氨酸-丝氨酸CAS号 : 91037-65-9 Compound CID : 107775分子式: C15H27N7O8 分子量: 433.42IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acidSMILES: C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)NInChIKey: NNRFRJQMBSBXGO-CIUDSAMLSA-NInChI: InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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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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天然脱落酸CAS号 : 21293-29-8 Compound CID : 5280896分子式: C15H20O4 分子量: 264.32IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acidSMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)CInChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-NInChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/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