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5 项目

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  1. MLN120B,IkappaB 激酶β (IKKβ) 抑制剂
    CAS号 : 783348-36-7        Compound CID : 9929127
    分子式: C19H15ClN4O2        分子量: 366.8
    IUPAC Name: N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
    SMILES: CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4
    InChIKey: ZNOLRTPMNMPLHY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
  2. TPCA-1,IκB激酶抑制剂
    CAS号 : 507475-17-4        Compound CID : 9903786
    分子式: C12H10FN3O2S        分子量: 279.29
    IUPAC Name: 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
    SMILES: C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F
    InChIKey: SAYGKHKXGCPTLX-UHFFFAOYSA-N
    InChI: InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
  3. 伐瑞拉迪
    CAS号 : 172732-68-2        Compound CID : 155815
    分子式: C21H20N2O5        分子量: 380.39
    IUPAC Name: 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid
    SMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)N
    InChIKey: BHLXTPHDSZUFHR-UHFFFAOYSA-N
    InChI: InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
  4. BMS-345541,IKK的变构抑制剂
    CAS号 : 547757-23-3        Compound CID : 9926054
    分子式: C14H18ClN5        分子量: 291.78
    IUPAC Name: N'-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine;hydrochloride
    SMILES: CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN.Cl
    InChIKey: MIDKPVLYXNLFGZ-UHFFFAOYSA-N
    InChI: InChI=1S/C14H17N5.ClH/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18);1H
  5. 来他替尼
    CAS号 : 111358-88-4        Compound CID : 126565
    分子式: C26H21N3O4        分子量: 439.46
    IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
    SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
    InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N
    InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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