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canSAR467491
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NAMES
    SMILES
    CC(C)(C)CN1CCCCC1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(-c2ccc(C(F)(F)F)cc2)n1
    InChI
    InChI=1S/C30H34F3N7O2/c1-29(2,3)17-40-14-5-4-7-20(40)16-35-28-37-22(18-10-12-19(13-11-18)30(31,32)33)15-24(38-28)42-23-9-6-8-21-25(23)39-26(34)27(41)36-21/h6,8-13,15,20H,4-5,7,14,16-17H2,1-3H3,(H2,34,39)(H,36,41)(H,35,37,38)
    MOLECULAR FORMULA
    C30H34F3N7O2
    CROSS REFERENCES
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    canSAR467491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.27
    AlogP 6.09
    HBond donors 4
    HBond acceptors 9
    Atoms 76
    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 canSAR467491.