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canSAR844926
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NAMES
    SMILES
    CC(=O)C1=NN2c3cc(Cl)ccc3OC[C@H]2C1(CCCN1CCOCC1)c1ccccc1
    InChI
    InChI=1S/C25H28ClN3O3/c1-18(30)24-25(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)23-17-32-22-9-8-20(26)16-21(22)29(23)27-24/h2-4,6-9,16,23H,5,10-15,17H2,1H3/t23-,25?/m0/s1
    MOLECULAR FORMULA
    C25H28ClN3O3
    CROSS REFERENCES
    844926 logo

    canSAR844926

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.18
    AlogP 3.92
    HBond donors 0
    HBond acceptors 6
    Atoms 60
    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 canSAR844926.