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canSAR1861281
FEATURES
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NAMES
    SMILES
    COc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)C(C4)[C@]2(O)C3
    InChI
    InChI=1S/C27H28N2O4/c1-32-19-4-2-3-16-17-12-27(31)20-11-15-7-8-18(30)24-21(15)26(27,9-10-29(20)13-14-5-6-14)25(33-24)23(17)28-22(16)19/h2-4,7-8,14,20,25,28,30-31H,5-6,9-13H2,1H3/t20?,25-,26-,27+/m0/s1
    MOLECULAR FORMULA
    C27H28N2O4
    CROSS REFERENCES
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    canSAR1861281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.20
    AlogP 3.58
    HBond donors 3
    HBond acceptors 6
    Atoms 61
    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 canSAR1861281.