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canSAR1637534
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NAMES
    SMILES
    COc1ccc(C2/C=C\CN(C(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1
    InChI
    InChI=1S/C35H33FN2O3/c1-25-10-14-29(15-11-25)34(39)37-22-6-9-32(28-16-20-31(41-2)21-17-28)38(24-27-12-18-30(36)19-13-27)35(40)33(37)23-26-7-4-3-5-8-26/h3-21,32-33H,22-24H2,1-2H3/b9-6-/t32?,33-/m1/s1
    MOLECULAR FORMULA
    C35H33FN2O3
    CROSS REFERENCES
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    canSAR1637534

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.25
    AlogP 6.54
    HBond donors 0
    HBond acceptors 5
    Atoms 74
    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 canSAR1637534.