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9 项目

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  1. MK886,脂氧合酶抑制剂
    CAS号 : 118414-82-7        Compound CID : 3651377
    分子式: C27H34ClNO2S        分子量: 472.08
    IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
    SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl
    InChIKey: QAOAOVKBIIKRNL-UHFFFAOYSA-N
    InChI: InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
  2. 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
  3. Verdiperstat
    CAS号 : 890655-80-8        Compound CID : 11528958
    分子式: C11H15N3O2S        分子量: 253.32
    IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
    SMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
    InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-N
    InChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
  4. MPO-IN-28
    CAS号 : 37836-90-1        Compound CID : 2835211
    分子式: C11H13N5O        分子量: 231.25
    IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
    SMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC
    InChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-N
    InChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
  5. PF-06282999
    CAS号 : 1435467-37-0        Compound CID : 71571306
    分子式: C13H12ClN3O3S        分子量: 325.77
    IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
    SMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N
    InChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-N
    InChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
  6. MK886
    CAS号 : 118414-82-7        Compound CID : 3651377
    分子式: C27H34ClNO2S        分子量: 472.08
    IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
    SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl
    InChIKey: QAOAOVKBIIKRNL-UHFFFAOYSA-N
    InChI: InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
  7. MPO-IN-28
    CAS号 : 37836-90-1        Compound CID : 2835211
    分子式: C11H13N5O        分子量: 231.25
    IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
    SMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC
    InChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-N
    InChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
  8. PF-06282999
    CAS号 : 1435467-37-0        Compound CID : 71571306
    分子式: C13H12ClN3O3S        分子量: 325.77
    IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
    SMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N
    InChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-N
    InChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
  9. 维迪珀斯塔
    CAS号 : 890655-80-8        Compound CID : 11528958
    分子式: C11H15N3O2S        分子量: 253.32
    IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
    SMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
    InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-N
    InChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
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