canSAR1642916
FEATURES
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NAMES
    SMILES
    OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c(Nc4ccccc4)ncnc32)O1
    InChI
    InChI=1S/C29H28N6O2/c36-18-25-16-34(15-21-11-13-23(14-12-21)22-7-3-1-4-8-22)17-26(37-25)35-20-32-27-28(30-19-31-29(27)35)33-24-9-5-2-6-10-24/h1-14,19-20,25-26,36H,15-18H2,(H,30,31,33)/t25-,26+/m0/s1
    MOLECULAR FORMULA
    C29H28N6O2
    CROSS REFERENCES
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    canSAR1642916
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight492.23
    AlogP4.63
    HBond donors2
    HBond acceptors8
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1642916.