小分子和化合物库

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10 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. 马来酸美西麦角
      规格或纯度 :
    • ≥99%
    CAS号 : 129-49-7        Compound CID : 5281073
    分子式: C25H31N3O6        分子量: 469.53
    IUPAC Name: (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
    SMILES: CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O
    InChIKey: LWYXFDXUMVEZKS-ZVFOLQIPSA-N
    InChI: InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1
  3. 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)
  4. 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
  5. 吲哚洛尔
    CAS号 : 13523-86-9        Compound CID : 4828
    分子式: C14H20N2O2        分子量: 248.32
    IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
    SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
    InChIKey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
    InChI: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
  6. 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)
  7. 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
  8. DSP-1053
      规格或纯度 :
    • ≥99%
    CAS号 : 1176326-76-3        Compound CID : 44182694
    分子式: C26H32BrNO4        分子量: 502.44
    IUPAC Name: 6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
    SMILES: COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br
    InChIKey: ZSVLGHSNQJYODD-UHFFFAOYSA-N
    InChI: InChI=1S/C26H32BrNO4/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25/h2-5,17-18,20H,6-16H2,1H3
  9. GSK163090
      规格或纯度 :
    • ≥99%
    CAS号 : 844903-58-8        Compound CID : 11292933
    分子式: C25H29N5O        分子量: 415.53
    IUPAC Name: 1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one
    SMILES: CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N5CCNC5=O
    InChIKey: ANGUXJDGJCHGOG-UHFFFAOYSA-N
    InChI: InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)
  10. LP-211
      规格或纯度 :
    • ≥99%
    CAS号 : 1052147-86-0        Compound CID : 25107716
    分子式: C30H34N4O        分子量: 466.63
    IUPAC Name: N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
    SMILES: C1CN(CCN1CCCCCC(=O)NCC2=CC=C(C=C2)C#N)C3=CC=CC=C3C4=CC=CC=C4
    InChIKey: BQEDZLDNNBDKDS-UHFFFAOYSA-N
    InChI: InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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