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canSAR501954
FEATURES
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NAMES
    SMILES
    CCCCc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)O)CC3)c2)nc1
    InChI
    InChI=1S/C35H43NO3S/c1-4-5-9-27-15-18-30(36-24-27)17-14-26-10-8-12-29(22-26)32(40-25-35(20-21-35)23-33(37)38)19-16-28-11-6-7-13-31(28)34(2,3)39/h6-8,10-15,17-18,22,24,32,39H,4-5,9,16,19-21,23,25H2,1-3H3,(H,37,38)/b17-14+/t32-/m1/s1
    MOLECULAR FORMULA
    C35H43NO3S
    CROSS REFERENCES
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    canSAR501954

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.30
    AlogP 8.48
    HBond donors 2
    HBond acceptors 4
    Atoms 83
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR501954.