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canSAR1114483
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NAMES
    SMILES
    CC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)ccc12
    InChI
    InChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31)/t20-,29+
    MOLECULAR FORMULA
    C29H29N5O2
    CROSS REFERENCES
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    canSAR1114483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.23
    AlogP 5.61
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    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 canSAR1114483.