小分子和化合物库

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8 项目

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  1. 阿扎佩隆
      规格或纯度 :
    • ≥99%
    CAS号 : 1649-18-9        Compound CID : 15443
    分子式: C19H22FN3O        分子量: 327.4
    IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
    SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
    InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
  2. 阿立哌唑
    CAS号 : 129722-12-9        Compound CID : 60795
    分子式: C23H27Cl2N3O2        分子量: 448.39
    IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
    SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
    InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N
    InChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
  3. 奥氮平
    CAS号 : 132539-06-1        Compound CID : 135398745
    分子式: C17H20N4S        分子量: 312.43
    IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
    SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
    InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N
    InChI: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
  4. 普拉克索
    CAS号 : 104632-26-0        Compound CID : 119570
    分子式: C10H17N3S        分子量: 211.33
    IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
    SMILES: CCCNC1CCC2=C(C1)SC(=N2)N
    InChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-N
    InChI: InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
  5. Nafadotride,D3拮抗剂
    CAS号 : 149649-22-9        Compound CID : 3408722
    分子式: C22H27N3O2        分子量: 365.47
    IUPAC Name: N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
    SMILES: CCCCN1CCCC1CNC(=O)C2=C(C3=CC=CC=C3C(=C2)C#N)OC
    InChIKey: IDZASIQMRGPBCQ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
  6. 依巴斯汀
      规格或纯度 :
    • ≥99%
    CAS号 : 90729-43-4        Compound CID : 3191
    分子式: C32H39NO2        分子量: 469.66
    IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
    SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
    InChIKey: MJJALKDDGIKVBE-UHFFFAOYSA-N
    InChI: InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
  7. L-745870 hydrochloride
      规格或纯度 :
    • ≥99%
    CAS号 : 1173023-36-3        Compound CID : 11957618
    分子式: C18H20Cl2N4        分子量: 363.28
    IUPAC Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
    SMILES: C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl
    InChIKey: GFFJYISJZJIKAF-UHFFFAOYSA-N
    InChI: InChI=1S/C18H19ClN4.ClH/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18;/h1-7,12H,8-11,13H2,(H,20,21);1H
  8. GSK598809
      规格或纯度 :
    • ≥99%
    CAS号 : 863680-45-9        Compound CID : 24743758
    分子式: C22H23F4N5OS        分子量: 481.51
    IUPAC Name: 5-[5-[3-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
    SMILES: CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3CC4CC4(C3)C5=C(C=C(C=C5)C(F)(F)F)F
    InChIKey: ZKRWPAYTJMRKLJ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
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