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8 项目

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  1. SD-208,ATP竞争性TGF-βRI抑制剂
    CAS号 : 627536-09-8        Compound CID : 10316032
    分子式: C17H10ClFN6        分子量: 352.75
    IUPAC Name: 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine
    SMILES: C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)F
    InChIKey: BERLXWPRSBJFHO-UHFFFAOYSA-N
    InChI: InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
  2. 伊马替尼
    CAS号 : 152459-95-5        Compound CID : 5291
    分子式: C29H31N7O        分子量: 493.6
    IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N
    InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
  3. 1,1-二甲基双胍
    CAS号 : 657-24-9        Compound CID : 4091
    分子式: C4H11N5        分子量: 129.16
    IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine
    SMILES: CN(C)C(=N)N=C(N)N
    InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
    InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
  4. Vactosertib (TEW-7197)
    CAS号 : 1352608-82-2        Compound CID : 54766013
    分子式: C22H18FN7        分子量: 399.43
    IUPAC Name: 2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
    SMILES: CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4
    InChIKey: FJCDSQATIJKQKA-UHFFFAOYSA-N
    InChI: InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
  5. BMS-986260
    CAS号 : 2001559-19-7        Compound CID : 122510453
    分子式: C18H12ClFN6O        分子量: 382.8
    IUPAC Name: 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
    SMILES: C1=CC(=C(C=C1C2=C(N(C=N2)CCO)C3=NN4C(=NC=C4C#N)C=C3)Cl)F
    InChIKey: VZZBCNXVZFAIQX-UHFFFAOYSA-N
    InChI: InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
  6. 1,1-二甲基双胍
    CAS号 : 657-24-9        Compound CID : 4091
    分子式: C4H11N5        分子量: 129.16
    IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine
    SMILES: CN(C)C(=N)N=C(N)N
    InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
    InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
  7. SD-208
    CAS号 : 627536-09-8        Compound CID : 10316032
    分子式: C17H10ClFN6        分子量: 352.75
    IUPAC Name: 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine
    SMILES: C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)F
    InChIKey: BERLXWPRSBJFHO-UHFFFAOYSA-N
    InChI: InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
  8. Vactosertib (TEW-7197)
    CAS号 : 1352608-82-2        Compound CID : 54766013
    分子式: C22H18FN7        分子量: 399.43
    IUPAC Name: 2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
    SMILES: CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4
    InChIKey: FJCDSQATIJKQKA-UHFFFAOYSA-N
    InChI: InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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