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canSAR1442807
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NAMES
    SMILES
    c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1
    InChI
    InChI=1S/C25H27N5/c1-2-7-16(8-3-1)23-24-19(18-10-4-5-11-20(18)28-24)13-21(29-23)25-27-15-22(30-25)17-9-6-12-26-14-17/h4-6,9-12,14-16,21,23,28-29H,1-3,7-8,13H2,(H,27,30)/t21-,23?/m1/s1
    MOLECULAR FORMULA
    C25H27N5
    CROSS REFERENCES
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    canSAR1442807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.23
    AlogP 5.46
    HBond donors 3
    HBond acceptors 5
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442807.