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canSAR1860347
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NAMES
    SMILES
    CO[C@H]1CC[C@@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
    InChI
    InChI=1S/C22H26N8O2/c1-13-16(7-8-17(27-13)20-25-12-26-29-20)18-9-23-21-22(28-18)30(19(31)10-24-21)11-14-3-5-15(32-2)6-4-14/h7-9,12,14-15H,3-6,10-11H2,1-2H3,(H,23,24)(H,25,26,29)/t14-,15+
    MOLECULAR FORMULA
    C22H26N8O2
    CROSS REFERENCES
    1860347 logo

    canSAR1860347

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.22
    AlogP 2.60
    HBond donors 2
    HBond acceptors 10
    Atoms 58
    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 canSAR1860347.