741191 logo
canSAR741191
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Br.Br.CCCCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1
    InChI
    InChI=1S/C33H56N4.2BrH/c1-3-5-7-9-12-16-24-34-32-20-28-36(29-21-32)26-18-14-11-15-19-27-37-30-22-33(23-31-37)35-25-17-13-10-8-6-4-2;;/h20-23,28-31H,3-19,24-27H2,1-2H3;2*1H
    MOLECULAR FORMULA
    C33H58Br2N4
    CROSS REFERENCES
    741191 logo

    canSAR741191

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.30
    AlogP 9.62
    HBond donors 0
    HBond acceptors 4
    Atoms 97
    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 canSAR741191.