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canSAR1060592
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NAMES
    SMILES
    O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1
    InChI
    InChI=1S/C27H29N3O2/c31-25(19-21-9-3-1-4-10-21)28-27(29-26(32)20-22-11-5-2-6-12-22)23-13-15-24(16-14-23)30-17-7-8-18-30/h1-6,9-16,27H,7-8,17-20H2,(H,28,31)(H,29,32)
    MOLECULAR FORMULA
    C27H29N3O2
    CROSS REFERENCES
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    canSAR1060592

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.23
    AlogP 4.00
    HBond donors 2
    HBond acceptors 5
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1060592.