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canSAR1595236
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NAMES
    SMILES
    O=C(OCc1cn(C2CN(CC3CCCCC3)C(c3ccccc3)CC2O)nn1)c1ccccc1
    InChI
    InChI=1S/C28H34N4O3/c33-27-16-25(22-12-6-2-7-13-22)31(17-21-10-4-1-5-11-21)19-26(27)32-18-24(29-30-32)20-35-28(34)23-14-8-3-9-15-23/h2-3,6-9,12-15,18,21,25-27,33H,1,4-5,10-11,16-17,19-20H2
    MOLECULAR FORMULA
    C28H34N4O3
    CROSS REFERENCES
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    canSAR1595236

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.26
    AlogP 4.56
    HBond donors 1
    HBond acceptors 7
    Atoms 69
    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 canSAR1595236.