小分子和化合物库
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长春质碱分子式: C21H24N2O2 分子量: 336.43IUPAC Name: methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylateSMILES: CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OCInChIKey: CMKFQVZJOWHHDV-NQZBTDCJSA-NInChI: InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
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1-异硫氰酸根-6-(甲基亚硫基)-己烷CAS号 : 4430-39-1分子式: C8H15NS2 分子量: 189.34IUPAC Name: 1-isothiocyanato-6-methylsulfanylhexaneSMILES: CSCCCCCCN=C=SInChIKey: YIBXPFAXPUDDTK-UHFFFAOYSA-NInChI: InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3
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CGP 54626 盐酸盐CAS号 : 149184-21-4 Compound CID : 197583分子式: C18H28Cl2NO3P•HCl 分子量: 444.76IUPAC Name: cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochlorideSMILES: CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O.ClInChIKey: ZQCFHOVIXCJPLE-LINSIKMZSA-NInChI: InChI=1S/C18H28Cl2NO3P.ClH/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14;/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24);1H/t13-,16-;/m0./s1
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HC-030031CAS号 : 349085-38-7(DMSO)分子式: C18H21N5O3 分子量: 355.39SMILES: CC(C)C1=CC=C(NC(=O)C[N]2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
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URB597CAS号 : 546141-08-6(DMSO)分子式: C20H22N2O3 分子量: 338.4SMILES: NC(=O)C1=CC(=CC=C1)C2=CC=CC(=C2)OC(=O)NC3CCCCC3
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尼氟酸CAS号 : 4394-00-7(DMSO)分子式: C13H9F3N2O2 分子量: 282.22SMILES: OC(=O)C1=CC=CN=C1NC2=CC=CC(=C2)C(F)(F)F
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长春质碱CAS号 : 2468-21-5(DMSO)分子式: C21H24N2O2 分子量: 336.43SMILES: CCC1=CC2CN3CCC4=C([NH]C5=CC=CC=C45)C(C2)(C13)C(=O)OC
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AuranofinCAS号 : 34031-32-8 Compound CID : 24199313分子式: C20H34AuO9PS 分子量: 678.48IUPAC Name: gold(1+);3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphaneSMILES: CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]InChIKey: AUJRCFUBUPVWSZ-UHFFFAOYSA-MInChI: InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1
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