小分子和化合物库

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显示第112个,产品总数80

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  1. DH 97
    CAS号 : 343263-95-6        Compound CID : 3467177
    分子式: C22H26N2O        分子量: 334.46
    IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
    SMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
  2. AZD5069
    CAS号 : 878385-84-3        Compound CID : 56645576
    分子式: C18H22F2N4O5S2        分子量: 476.52
    IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide
    SMILES: CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F
    InChIKey: QZECRCLSIGFCIO-RISCZKNCSA-N
    InChI: InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
  3. 2-(2,6-二氯苯氨基)苯乙酸
    CAS号 : 15307-86-5       
    分子式: C14H11Cl2NO2        分子量: 296.15
    IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
  4. 阿戈美拉汀
    CAS号 : 138112-76-2        Compound CID : 82148
    分子式: C15H17NO2        分子量: 243.3
    IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
    InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N
    InChI: InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
  5. N-乙酰基-2-苄基色胺
    CAS号 : 117946-91-5        Compound CID : 122162
    分子式: C19H20N2O        分子量: 292.37
    IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey: WVVXBPKOIZGVNS-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
  6. 褪黑素
    CAS号 : 73-31-4        Compound CID : 896
    分子式: C13H16N2O2        分子量: 232.28
    IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
    InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  7. 瑞帕利辛
    CAS号 : 266359-83-5        Compound CID : 9838712
    分子式: C14H21NO3S        分子量: 283.39
    IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
    SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)NS(=O)(=O)C
    InChIKey: KQDRVXQXKZXMHP-LLVKDONJSA-N
    InChI: InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
  8. 雷美替胺
    CAS号 : 196597-26-9        Compound CID : 208902
    分子式: C16H21NO2        分子量: 259.34
    IUPAC Name: N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
    SMILES: CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3
    InChIKey: YLXDSYKOBKBWJQ-LBPRGKRZSA-N
    InChI: InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
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