小分子和化合物库

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显示第112个,产品总数75

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  1. PP2,Src和RIP2激酶抑制剂
    CAS号 : 172889-27-9        Compound CID : 4878
    分子式: C15H16ClN5        分子量: 301.77
    IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
    SMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N
    InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N
    InChI: InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
  2. ARN-3236
    CAS号 : 1613710-01-2        Compound CID : 74766530
    分子式: C19H16N2O2S        分子量: 336.41
    IUPAC Name: 3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
    SMILES: COC1=CC(=C(C=C1)C2=CNC3=NC=CC(=C23)C4=CSC=C4)OC
    InChIKey: WEHOIIGXTMKVRG-UHFFFAOYSA-N
    InChI: InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)
  3. HG-9-91-01
    CAS号 : 1456858-58-4        Compound CID : 78357808
    分子式: C32H37N7O3        分子量: 567.68
    IUPAC Name: 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
    SMILES: CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C
    InChIKey: UYUHRKLITDJEHB-UHFFFAOYSA-N
    InChI: InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
  4. L-丙氨酸
    CAS号 : 56-41-7       
    分子式: C3H7NO2        分子量: 89.09
    IUPAC Name: (2S)-2-aminopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
  5. L-丙氨酸
    CAS号 : 56-41-7       
    分子式: C3H7NO2        分子量: 89.09
    IUPAC Name: (2S)-2-aminopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
  6. L-精氨酸
    CAS号 : 74-79-3        Compound CID : 6322
    分子式: C6H14N4O2        分子量: 174.20 g/mol
    IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
    SMILES: C(CC(C(=O)O)N)CN=C(N)N
    InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-N
    InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
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