canSAR1706217
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C27H30N6O6/c1-3-38-26(34)24-21(8-12-31-14-10-28-17-31)30-22(9-13-32-15-11-29-18-32)25(27(35)39-4-2)23(24)19-6-5-7-20(16-19)33(36)37/h5-7,10-11,14-18,23-24H,3-4,8-9,12-13H2,1-2H3
    MOLECULAR FORMULA
    C27H30N6O6
    CROSS REFERENCES
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    canSAR1706217
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight534.22
    AlogP3.70
    HBond donors0
    HBond acceptors12
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1706217.