小分子和化合物库
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16,17-alpha环氧孕烯醇酮醋酸酯分子式: C23H32O4 分子量: 372.5IUPAC Name: [(1R,2S,4R,6S,7S,10S,11R,14S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetateSMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)CInChIKey: YRLVTBXOGJMZNC-QHKUYLHMSA-NInChI: 1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1
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内皮素 3 人,大鼠,三氟乙酸盐CAS号: 117399-93-6(free basis)分子式: C123H169F3N26O35S4(free basis) 分子量: 2757.07(free basis)
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洋橄榄叶素CAS号: 37318-06-2分子式: C54H88O18 分子量: 1025.27IUPAC Name: See moreSMILES: CCC1C(OC(CC1OC2CC(C(C(O2)C)O)O)(C(C)C(C(C)C3C(C=CC=CC(=O)OC(C(C=CC=CC(=O)O3)C)C(C)C(C(C)C4(CC(C(C(O4)C)CC)OC5CC(C(C(O5)C)O)O)O)O)C)O)O)CInChIKey: OSERMIPXNLXAPD-MJMYBOKFSA-NInChI: See more
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艾替伏辛(HOE 36-801)CAS号: 21715-46-8 Compound CID : 135413553分子式: C17H17ClN2O 分子量: 300.78IUPAC Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imineSMILES: CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3InChIKey: IBYCYJFUEJQSMK-UHFFFAOYSA-NInChI: 1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
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鸟苷-5'-三磷酸三钠盐 水合物分子式: C10H13N5Na3O14P3 分子量: 589.13IUPAC Name: trisodium;[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] phosphateSMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])O)O)N=C(NC2=O)N.[Na+].[Na+].[Na+]InChIKey: KZRMTEVIDYXWQW-CYCLDIHTSA-KInChI: See more
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GS-9620,Toll-Like Receptor-7(TLR-7)激动剂CAS号: 1228585-88-3分子式: C22H30N6O2 分子量: 410.51IUPAC Name: 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-oneSMILES: CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)NInChIKey: VFOKSTCIRGDTBR-UHFFFAOYSA-NInChI: 1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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Givinostat hydrochloride monohydrateCAS号: 732302-99-7分子式: C24H27N3O4·HCl·H2O 分子量: 475.97IUPAC Name: [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate;hydrate;hydrochlorideSMILES: CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO.O.ClInChIKey: FKGKZBBDJSKCIS-UHFFFAOYSA-NInChI: 1S/C24H27N3O4.ClH.H2O/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30;;/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28);1H;1H2
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香叶基香叶醇CAS号: 24034-73-9分子式: C20H34O 分子量: 290.483IUPAC Name: (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-olSMILES: CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)CInChIKey: OJISWRZIEWCUBN-QIRCYJPOSA-NInChI: 1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
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氢化可的松琥珀酸酯分子式: C25H34O8 分子量: 462.53IUPAC Name: 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acidSMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)O)O)C)OInChIKey: VWQWXZAWFPZJDA-CGVGKPPMSA-NInChI: 1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
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氯化血红素分子式: C34H32ClN4O4Fe 分子量: 651.96IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chlorideSMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]InChIKey: BTIJJDXEELBZFS-UHFFFAOYSA-KInChI: See more
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3,4-双(4-乙酰氧基苯)-2,4-己二烯CAS号: 84-19-5分子式: C22H22O4 分子量: 350.41IUPAC Name: [4-[(2E,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetateSMILES: CC=C(C1=CC=C(C=C1)OC(=O)C)C(=CC)C2=CC=C(C=C2)OC(=O)CInChIKey: YWLLGDVBTLPARJ-OXAZHYLESA-NInChI: 1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3/b21-5+,22-6+
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