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canSAR1620131
FEATURES
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NAMES
    SMILES
    O=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1
    InChI
    InChI=1S/C21H29N7O3/c29-20(23-17-7-3-1-4-8-17)22-9-14-31-21-25-18(27-10-5-2-6-11-27)24-19(26-21)28-12-15-30-16-13-28/h1,3-4,7-8H,2,5-6,9-16H2,(H2,22,23,29)
    MOLECULAR FORMULA
    C21H29N7O3
    CROSS REFERENCES
    1620131 logo

    canSAR1620131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.23
    AlogP 1.90
    HBond donors 2
    HBond acceptors 10
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620131.