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7 项目

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  1. 达马莫德
    CAS号 : 285983-48-4        Compound CID : 156422
    分子式: C31H37N5O3        分子量: 527.67
    IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
    SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
    InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
    InChI: InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
  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. CP 424174,细胞因子释放抑制药物
    CAS号 : 210825-31-3        Compound CID : 9911728
    分子式: C22H29ClN2O4S        分子量: 452.99
    IUPAC Name: 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylurea
    SMILES: CC(C)C1=CC(=CC(=C1NC(=O)NS(=O)(=O)C2=CC=CC(=C2)C(C)(C)O)C(C)C)Cl
    InChIKey: YRSBLSHMKVQWHP-UHFFFAOYSA-N
    InChI: InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)
  4. 3-(甲基磺酰基)丙腈
    CAS号 : 54863-37-5        Compound CID : 12714644
    分子式: C4H7NO2S        分子量: 133.17
    IUPAC Name: 3-methylsulfonylpropanenitrile
    SMILES: CS(=O)(=O)CCC#N
    InChIKey: LQFRYKBDZNPJSW-UHFFFAOYSA-N
    InChI: InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
  5. CY 09,NLRP3抑制剂
    CAS号 : 1073612-91-5        Compound CID : 75070350
    分子式: C19H12F3NO3S2        分子量: 423.43
    IUPAC Name: 4-[[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
    SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S
    InChIKey: DJTINRHPPGAPLD-UHFFFAOYSA-N
    InChI: InChI=1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)
  6. MCC950
    CAS号 : 210826-40-7        Compound CID : 9910393
    分子式: C20H24N2O5S        分子量: 404.48
    IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
    SMILES: CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
    InChIKey: HUUSXLKCTQDPGL-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
  7. MCC950
    CAS号 : 210826-40-7        Compound CID : 9910393
    分子式: C20H24N2O5S        分子量: 404.48
    IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
    SMILES: CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
    InChIKey: HUUSXLKCTQDPGL-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
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