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canSAR111776
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NAMES
    SMILES
    COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1
    InChI
    InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
    MOLECULAR FORMULA
    C32H40N8O2
    CROSS REFERENCES
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    canSAR111776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.33
    AlogP 4.39
    HBond donors 3
    HBond acceptors 10
    Atoms 82
    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 canSAR111776.