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canSAR1119423
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NAMES
    SMILES
    O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12
    InChI
    InChI=1S/C38H42N4O3/c43-35-27-36(28-10-2-1-3-11-28)45-37-26-29(16-17-32(35)37)44-25-9-20-42-23-21-41(22-24-42)19-8-18-39-38-30-12-4-6-14-33(30)40-34-15-7-5-13-31(34)38/h1-4,6,10-12,14,16-17,26-27H,5,7-9,13,15,18-25H2,(H,39,40)
    MOLECULAR FORMULA
    C38H42N4O3
    CROSS REFERENCES
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    canSAR1119423

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 602.33
    AlogP 6.78
    HBond donors 1
    HBond acceptors 7
    Atoms 87
    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 canSAR1119423.