546839 logo
canSAR546839
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cl.O=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3
    InChI
    InChI=1S/C40H42Cl2N4O2.ClH/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38;/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47);1H
    MOLECULAR FORMULA
    C40H43Cl3N4O2
    CROSS REFERENCES
    546839 logo

    canSAR546839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 716.25
    AlogP 10.56
    HBond donors 2
    HBond acceptors 6
    Atoms 92
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546839.