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canSAR465301
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NAMES
    SMILES
    Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCC(C)(C)CC4)cc3c2[C@H](C)CNCCCCc2ccncc2)c1
    InChI
    InChI=1S/C39H52N4O/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-17-9-8-10-30-13-18-40-19-14-30)33-25-32(11-12-34(33)42-36)39(6,7)37(44)43-20-15-38(4,5)16-21-43/h11-14,18-19,22-25,29,41-42H,8-10,15-17,20-21,26H2,1-7H3/t29-/m1/s1
    MOLECULAR FORMULA
    C39H52N4O
    CROSS REFERENCES
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    canSAR465301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.41
    AlogP 8.49
    HBond donors 2
    HBond acceptors 5
    Atoms 96
    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 canSAR465301.