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canSAR1000667
FEATURES
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NAMES
    SMILES
    COc1cccc(CNC(=O)c2[nH]c3nc(-c4cn[nH]c4)ccc3c2CN2CCN(C)CC2)c1
    InChI
    InChI=1S/C25H29N7O2/c1-31-8-10-32(11-9-31)16-21-20-6-7-22(18-14-27-28-15-18)29-24(20)30-23(21)25(33)26-13-17-4-3-5-19(12-17)34-2/h3-7,12,14-15H,8-11,13,16H2,1-2H3,(H,26,33)(H,27,28)(H,29,30)
    MOLECULAR FORMULA
    C25H29N7O2
    CROSS REFERENCES
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    canSAR1000667

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.24
    AlogP 2.64
    HBond donors 3
    HBond acceptors 9
    Atoms 63
    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 canSAR1000667.