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5 项目

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  1. Zaurategrast,抑制剂
    CAS号 : 455264-31-0        Compound CID : 10186367
    分子式: C26H25BrN4O3        分子量: 521.42
    IUPAC Name: (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acid
    SMILES: C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)O
    InChIKey: KYHVWHYLKOHLKA-FQEVSTJZSA-N
    InChI: InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1
  2. Firategrast,拮抗剂
    CAS号 : 402567-16-2        Compound CID : 9935681
    分子式: C27H27F2NO6        分子量: 499.5
    IUPAC Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid
    SMILES: CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC
    InChIKey: YLFZHHDVRSYTKT-NRFANRHFSA-N
    InChI: InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1
  3. GSK 2239633A,CCR4拮抗剂
    CAS号 : 1240516-71-5        Compound CID : 46861584
    分子式: C24H25ClN4O5S2        分子量: 549.06
    IUPAC Name: N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
    SMILES: CC(C)(C(=O)NCC1=CC(=CC=C1)CN2C3=C(C(=CC=C3)OC)C(=N2)NS(=O)(=O)C4=CC=C(S4)Cl)O
    InChIKey: YTEVTHHGQMUPHC-UHFFFAOYSA-N
    InChI: InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)
  4. AZD 2098,CCR4拮抗剂
    CAS号 : 566203-88-1        Compound CID : 10308720
    分子式: C11H9Cl2N3O3S        分子量: 334.18
    IUPAC Name: 2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
    SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl
    InChIKey: FLSMVCMSUNISFK-UHFFFAOYSA-N
    InChI: InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
  5. 普乐沙福
    CAS号 : 110078-46-1        Compound CID : 65015
    分子式: C28H54N8        分子量: 502.78
    IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
    SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
    InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N
    InChI: InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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