小分子和化合物库

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显示第112个,产品总数87

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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. 氟灭酸
    CAS号 : 530-78-9(DMSO)        Compound CID : 3371
    分子式: C14H10F3NO2        分子量: 281.23
    IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid
    SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
    InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
  3. 5'-三磷酸腺苷
    CAS号 : 56-65-5(Water)        Compound CID : 5957
    分子式: C10H16N5O13P3        分子量: 507.18
    IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
    InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
    InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
  4. 腺嘌呤核苷
    CAS号 : 58-61-7        Compound CID : 60961
    分子式: C10H13N5O4        分子量: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
  5. 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)
  6. 腺嘌呤核苷
    CAS号 : 58-61-7        Compound CID : 60961
    分子式: C10H13N5O4        分子量: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
  7. 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)
  8. 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)
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