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canSAR1490126
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NAMES
    SMILES
    O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c12
    InChI
    InChI=1S/C27H22N4O/c32-27(28-17-16-19-10-4-1-5-11-19)22-18-23(20-12-6-2-7-13-20)29-26-24(22)25(30-31-26)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,28,32)(H,29,30,31)
    MOLECULAR FORMULA
    C27H22N4O
    CROSS REFERENCES
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    canSAR1490126

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.18
    AlogP 5.26
    HBond donors 2
    HBond acceptors 5
    Atoms 54
    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 canSAR1490126.