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7 项目

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  1. 褪黑素
    CAS号 : 73-31-4        Compound CID : 896
    分子式: C13H16N2O2        分子量: 232.28
    IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
    InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  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. JNJ39758979,组胺H4受体拮抗剂
    CAS号 : 1046447-90-8        Compound CID : 24994634
    分子式: C11H19N5        分子量: 221.30
    IUPAC Name: 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
    SMILES: CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)N
    InChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-N
    InChI: InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
  4. 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)
  5. R-(-)-α-甲基组胺二氢溴酸盐
    CAS号 : 75614-87-8        Compound CID : 156615
    分子式: C6H11N3.2HBr        分子量: 287
    IUPAC Name: (2R)-1-(1H-imidazol-5-yl)propan-2-amine
    SMILES: CC(CC1=CN=CN1)N
    InChIKey: XNQIOISZPFVUFG-RXMQYKEDSA-N
    InChI: InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
  6. BAY-985
    CAS号 : 2409479-29-2        Compound CID : 145925685
    分子式: C27H30F3N9O        分子量: 553.58
    IUPAC Name: 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
    SMILES: CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CC(=NC=N4)N(C)C)N5CCN(CC5)C(=O)CC(F)(F)F
    InChIKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-N
    InChI: InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
  7. 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)
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