小分子和化合物库

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5 项目

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  1. 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)
  2. 甘罗溴铵
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 596-51-0        Compound CID : 11693
    分子式: C19H28NO3·Br        分子量: 398.33
    IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide
    SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
    InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-M
    InChI: InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
  3. Tolterodine-L-酒石酸盐
    CAS号 : 124937-51-5        Compound CID : 443879
    分子式: C22H31NO        分子量: 325.5
    IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
    SMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
    InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-N
    InChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
  4. LY 2119620,M2和M4受体的正变构调节剂
    CAS号 : 886047-22-9        Compound CID : 57664406
    分子式: C19H24ClN5O3S        分子量: 437.94
    IUPAC Name: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
    SMILES: CC1=C2C(=C(SC2=NC(=C1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N
    InChIKey: TYTGOXSAAQWLPJ-UHFFFAOYSA-N
    InChI: InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
  5. AF-DX 384,M2 / M4拮抗剂
    CAS号 : 118290-26-9        Compound CID : 119357
    分子式: C27H38N6O2        分子量: 478.64
    IUPAC Name: N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
    SMILES: CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
    InChIKey: MZDYABXXPZNUCT-UHFFFAOYSA-N
    InChI: InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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