小分子和化合物库

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  1. 茶苯海明
      规格或纯度 :
    • ≥97%
    CAS号 : 523-87-5        Compound CID : 10660
    分子式: C17H21NO · C7H7ClN4O2        分子量: 469.96
    IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
    SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
    InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
  2. VU 0467485,M4受体的正变构调节剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1451994-10-7        Compound CID : 89777239
    分子式: C17H17FN4O2S        分子量: 360.41
    IUPAC Name: 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
    SMILES: CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)C
    InChIKey: VFNHDIWHQGVWLL-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
  3. GNE 9278,NMDA受体的正变构调节剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 901230-11-3        Compound CID : 22432385
    分子式: C21H27N5O3S        分子量: 429.54
    IUPAC Name: 4-cyclohexyl-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide
    SMILES: CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C
    InChIKey: OKXCVUICUUOADN-UHFFFAOYSA-N
    InChI: InChI=1S/C21H27N5O3S/c1-3-7-18-23-21-22-14(2)19(20(27)26(21)24-18)25-30(28,29)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h10-13,15,25H,3-9H2,1-2H3,(H,22,23,24)
  4. CIQ,含有GluN2C / GluN2D的NMDA受体增强剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 486427-17-2        Compound CID : 4231127
    分子式: C26H26ClNO5        分子量: 467.94
    IUPAC Name: (3-chlorophenyl)-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
    SMILES: COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)Cl)OC)OC
    InChIKey: VYMILMYEENZHAR-UHFFFAOYSA-N
    InChI: InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3
  5. D,L-三苯甲基盐酸盐
    CAS号 : 58947-95-8        Compound CID : 66007
    分子式: C20H32ClNO        分子量: 337.93
    IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
    SMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl
    InChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-N
    InChI: InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
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