canSAR2059417
FEATURES
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NAMES
    SMILES
    C=CC(=O)Nc1cccc(Nc2nc(N/N=C/c3cn(Cc4ccccc4)c4ccccc34)ncc2Cl)c1
    InChI
    InChI=1S/C29H24ClN7O/c1-2-27(38)33-22-11-8-12-23(15-22)34-28-25(30)17-31-29(35-28)36-32-16-21-19-37(18-20-9-4-3-5-10-20)26-14-7-6-13-24(21)26/h2-17,19H,1,18H2,(H,33,38)(H2,31,34,35,36)/b32-16+
    MOLECULAR FORMULA
    C29H24ClN7O
    CROSS REFERENCES
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    canSAR2059417
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.17
    AlogP6.45
    HBond donors3
    HBond acceptors8
    Atoms62
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059417.