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canSAR755478
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NAMES
    SMILES
    CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C#Cc4cnc5[nH]cnc5c4)c3)cc2C(F)(F)F)CC1
    InChI
    InChI=1S/C30H29F3N6O/c1-3-38-10-12-39(13-11-38)18-24-8-9-25(16-26(24)30(31,32)33)37-29(40)23-6-4-20(2)22(15-23)7-5-21-14-27-28(34-17-21)36-19-35-27/h4,6,8-9,14-17,19H,3,10-13,18H2,1-2H3,(H,37,40)(H,34,35,36)
    MOLECULAR FORMULA
    C30H29F3N6O
    CROSS REFERENCES
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    canSAR755478

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.24
    AlogP 5.07
    HBond donors 2
    HBond acceptors 7
    Atoms 69
    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 canSAR755478.