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canSAR745903
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NAMES
    SMILES
    CCCCCCCCCCN=c1ccn(CCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1
    InChI
    InChI=1S/C36H62N4/c1-3-5-7-9-11-13-15-19-27-37-35-23-31-39(32-24-35)29-21-17-18-22-30-40-33-25-36(26-34-40)38-28-20-16-14-12-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3
    MOLECULAR FORMULA
    C36H62N4
    CROSS REFERENCES
    745903 logo

    canSAR745903

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.50
    AlogP 9.63
    HBond donors 0
    HBond acceptors 4
    Atoms 102
    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 canSAR745903.