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canSAR389983
FEATURES
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NAMES
    SMILES
    COc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O
    InChI
    InChI=1S/C26H26ClNO4/c1-32-25-14-19(7-11-23(25)26(30)31)18-3-2-16-6-10-22(13-20(16)12-18)28-15-24(29)17-4-8-21(27)9-5-17/h2-5,7-9,11-12,14,22,24,28-29H,6,10,13,15H2,1H3,(H,30,31)/t22-,24-/m0/s1
    MOLECULAR FORMULA
    C26H26ClNO4
    CROSS REFERENCES
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    canSAR389983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.16
    AlogP 4.89
    HBond donors 3
    HBond acceptors 5
    Atoms 58
    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 canSAR389983.