canSAR2199459
FEATURES
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NAMES
    SMILES
    Cc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C[C@H]1CCCN1C(=O)/C=C/CN(C)C
    InChI
    InChI=1S/C29H32N6O2/c1-21-27-28(22-13-15-25(16-14-22)37-24-10-5-4-6-11-24)32-35(29(27)31-20-30-21)19-23-9-7-18-34(23)26(36)12-8-17-33(2)3/h4-6,8,10-16,20,23H,7,9,17-19H2,1-3H3/b12-8+/t23-/m1/s1
    MOLECULAR FORMULA
    C29H32N6O2
    CROSS REFERENCES
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    canSAR2199459
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight496.26
    AlogP4.70
    HBond donors0
    HBond acceptors8
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2199459.