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canSAR1718723
FEATURES
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NAMES
    SMILES
    COc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@@H]32)c1
    InChI
    InChI=1S/C27H28FN3O3/c1-30-24-10-9-18(17-5-3-6-19(28)13-17)14-23(24)26-22(25(30)16-32)11-12-31(26)27(33)29-20-7-4-8-21(15-20)34-2/h3-10,13-15,22,25-26,32H,11-12,16H2,1-2H3,(H,29,33)/t22-,25-,26-/m1/s1
    MOLECULAR FORMULA
    C27H28FN3O3
    CROSS REFERENCES
    1718723 logo

    canSAR1718723

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.21
    AlogP 4.91
    HBond donors 2
    HBond acceptors 6
    Atoms 62
    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 canSAR1718723.