小分子和化合物库
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刀豆凝集素A(Con A)CAS号: 11028-71-0 EC号: 234-258-2IUPAC Name: 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-(dipropylsulfamoyl)benzoic acidSMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]InChIKey: RVSZVJZFCQZYHQ-UHFFFAOYSA-NInChI: 1S/C13H19NO4S.C10H13N5O4/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);3,6-8,16H,2,4H2,1H3,(H,12,17,18)
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WAY-638137CAS号: 793713-92-5 Compound CID : 2559656分子式: C16H20N2O4S2 分子量: 368.47IUPAC Name: 3-methyl-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]benzenesulfonamideSMILES: CC1=CC(=CC=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=CC(=C2)CInChIKey: PTKBYSSHVPWNBN-UHFFFAOYSA-NInChI: 1S/C16H20N2O4S2/c1-13-5-3-7-15(11-13)23(19,20)17-9-10-18-24(21,22)16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3
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GboxinCAS号: 2101315-36-8分子式: C22H33ClN2O2 分子量: 392.96IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)acetate;chlorideSMILES: CCC1=[N+](C2=CC=CC=C2N1CC(=O)OC3CC(CCC3C(C)C)C)C.[Cl-]InChIKey: UBWVTCCKVGOTBG-VYZBTARASA-MInChI: 1S/C22H33N2O2.ClH/c1-6-21-23(5)18-9-7-8-10-19(18)24(21)14-22(25)26-20-13-16(4)11-12-17(20)15(2)3;/h7-10,15-17,20H,6,11-14H2,1-5H3;1H/q+1;/p-1/t16-,17+,20-;/m1./s1
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Germacrene DCAS号: 23986-74-5 Compound CID : 5317570分子式: C15H24 分子量: 204.35IUPAC Name: (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-dieneSMILES: CC1=CCCC(=C)C=CC(CC1)C(C)CInChIKey: GAIBLDCXCZKKJE-RXJOXMPGSA-NInChI: 1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
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Cy5.5-SE (DIPEA)分子式: C53H66N4O16S4 分子量: 1143.37SMILES: CC(N(CC)C(C)C)C.O=S(C1=CC(S(=O)([O-])=O)=C2C(C3=C([N+](CC)=C(/C=C/C=C/C=C4N(CCCCCC(ON5C(CCC5=O)=O)=O)C6=C(C7=CC(S(=O)(O)=O)=CC(S(=O)(O)=O)=C7C=C6)C/4(C)C)C3(C)C)C=C2)=C1)(O)=O
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