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  1. Cimaterol, Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor
    Cas#: 54239-37-1        Compound CID:  2755
    Formula:  C12H17N3O        Molecular Weight: 219.28
    IUPAC Name: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
    SMILES: CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
    InChIKey: BUXRLJCGHZZYNE-UHFFFAOYSA-N
    InChI: InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
    Synonyms: cimaterol|54239-37-1|Cimater|Cimaterolum|AB-A 663|AC 263,780|2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitr...
  2. Paclitaxel, Agonist of Pregnane X receptor;Agonist of TLR4;Inhibitor of tubulin beta class I
    Cas#: 33069-62-4        Compound CID:  36314
    Formula:  C47H51NO14        Molecular Weight: 853.91
    IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
    InChIKey: RCINICONZNJXQF-MZXODVADSA-N
    InChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
    Synonyms: NSC125973 | NSC-125973 | Onxal | ORAXOL COMPONENT PACLITAXEL | Pacliex | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R...
  3. 1-Deoxynojirimycin, Inhibitor of alpha glucosidase
    Cas#: 19130-96-2        Compound CID:  29435
    Formula:  C6H13NO4        Molecular Weight: 163.17
    IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
    SMILES: C1C(C(C(C(N1)CO)O)O)O
    InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N
    InChI: InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
  4. 1-Deoxynojirimycin, Inhibitor of alpha glucosidase
    Cas#: 19130-96-2        Compound CID:  29435
    Formula:  C6H13NO4        Molecular Weight: 163.17
    IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
    SMILES: C1C(C(C(C(N1)CO)O)O)O
    InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N
    InChI: InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
    Synonyms: 1-DEOXYNOJIRIMYCIN|19130-96-2|DUVOGLUSTAT|Moranoline|deoxynojirimycin|(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5...
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