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canSAR1723470
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NAMES
    SMILES
    OC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(NC4CCC4)ncnc32)O1
    InChI
    InChI=1S/C19H24N6O3/c26-10-15-8-24(7-14-5-2-6-27-14)9-16(28-15)25-12-22-17-18(20-11-21-19(17)25)23-13-3-1-4-13/h2,5-6,11-13,15-16,26H,1,3-4,7-10H2,(H,20,21,23)/t15-,16+/m0/s1
    MOLECULAR FORMULA
    C19H24N6O3
    CROSS REFERENCES
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    canSAR1723470

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.19
    AlogP 1.78
    HBond donors 2
    HBond acceptors 9
    Atoms 52
    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 canSAR1723470.