1132723 logo
canSAR1132723
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1
    InChI
    InChI=1S/C36H40N2O4/c39-32(26-38-22-20-37(21-23-38)25-30-12-6-2-7-13-30)28-42-36-19-17-33(41-27-31-14-8-3-9-15-31)24-34(36)35(40)18-16-29-10-4-1-5-11-29/h1-15,17,19,24,32,39H,16,18,20-23,25-28H2/t32-/m1/s1
    MOLECULAR FORMULA
    C36H40N2O4
    CROSS REFERENCES
    1132723 logo

    canSAR1132723

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.30
    AlogP 5.64
    HBond donors 1
    HBond acceptors 6
    Atoms 82
    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 canSAR1132723.