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canSAR1132101
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NAMES
    SMILES
    COc1cc(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)ccc1C(=O)NC1CCN(C)CC1
    InChI
    InChI=1S/C27H35F2N7O3/c1-34-12-10-17(11-13-34)31-24(37)20-9-8-18(14-22(20)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,17,19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
    MOLECULAR FORMULA
    C27H35F2N7O3
    CROSS REFERENCES
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    canSAR1132101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.28
    AlogP 3.41
    HBond donors 2
    HBond acceptors 10
    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 canSAR1132101.