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10 项目

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  1. ACT-334441
    CAS号 : 1262414-04-9        Compound CID : 49871973
    分子式: C25H31N3O5        分子量: 453.53
    IUPAC Name: (2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
    SMILES: CCC1=C(C(=CC(=C1)C2=NOC(=N2)C3=CC(=NC(=C3)OC)C4CCCC4)C)OCC(CO)O
    InChIKey: KJKKMMMRWISKRF-FQEVSTJZSA-N
    InChI: InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1
  2. Ponesimod,磷酸鞘氨醇受体激动剂
    CAS号 : 854107-55-4        Compound CID : 11363176
    分子式: C23H25ClN2O4S        分子量: 460.974
    IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
    SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C
    InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N
    InChI: InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
  3. 芬戈莫德
    CAS号 : 162359-55-9        Compound CID : 107970
    分子式: C19H33NO2        分子量: 307.47
    IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
    SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
    InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
  4. 7,3',4'-三羟基异黄酮(7,3',4'-THIF)
    CAS号 : 485-63-2        Compound CID : 5284648
    分子式: C15H10O5        分子量: 270.24
    IUPAC Name: 3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
    SMILES: C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O
    InChIKey: DDKGKOOLFLYZDL-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
  5. 辛波莫德(BAF312)
    CAS号 : 1230487-00-9        Compound CID : 44599207
    分子式: C29H35F3N2O3        分子量: 516.6
    IUPAC Name: 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid
    SMILES: CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O
    InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N
    InChI: InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
  6. 奥扎莫德(RPC1063)
    CAS号 : 1306760-87-1        Compound CID : 52938427
    分子式: C23H24N4O3        分子量: 404.46
    IUPAC Name: 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
    SMILES: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N
    InChIKey: XRVDGNKRPOAQTN-FQEVSTJZSA-N
    InChI: InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
  7. 奥扎尼莫(RPC1063)
    CAS号 : 1306760-87-1        Compound CID : 52938427
    分子式: C23H24N4O3        分子量: 404.46
    IUPAC Name: 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
    SMILES: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N
    InChIKey: XRVDGNKRPOAQTN-FQEVSTJZSA-N
    InChI: InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
  8. Ponesimod
    CAS号 : 854107-55-4        Compound CID : 11363176
    分子式: C23H25ClN2O4S        分子量: 460.974
    IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
    SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C
    InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N
    InChI: InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
  9. 西波尼莫德(BAF312)
    CAS号 : 1230487-00-9        Compound CID : 44599207
    分子式: C29H35F3N2O3        分子量: 516.6
    IUPAC Name: 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid
    SMILES: CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O
    InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N
    InChI: InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
  10. RDR 03785
      规格或纯度 :
    • ≥96%
    CAS号 : 289657-30-3        Compound CID : 2725942
    分子式: C19H18F3NO4        分子量: 381.35
    IUPAC Name: 6-[morpholin-4-yl-[4-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxol-5-ol
    SMILES: C1COCCN1C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3O)OCO4
    InChIKey: AWQPMEGCCWPTRI-UHFFFAOYSA-N
    InChI: InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
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