1116026 logo
canSAR1116026
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    c1cc(-c2cnc(-c3cccc(NCCN4CCCC4)c3)o2)cc(-c2cnc(-c3cccc(NCCN4CCCC4)c3)o2)c1
    InChI
    InChI=1S/C36H40N6O2/c1-2-17-41(16-1)20-14-37-31-12-6-10-29(23-31)35-39-25-33(43-35)27-8-5-9-28(22-27)34-26-40-36(44-34)30-11-7-13-32(24-30)38-15-21-42-18-3-4-19-42/h5-13,22-26,37-38H,1-4,14-21H2
    MOLECULAR FORMULA
    C36H40N6O2
    CROSS REFERENCES
    1116026 logo

    canSAR1116026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.32
    AlogP 7.35
    HBond donors 2
    HBond acceptors 8
    Atoms 84
    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 canSAR1116026.