canSAR170805
FEATURES
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NAMES
    SMILES
    O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc4c3=O)CC2)[C@@H](c2ccccc2)C1
    InChI
    InChI=1S/C32H40N4O3/c37-31-27-13-7-8-14-29(27)33-22-36(31)26-15-17-34(18-16-26)19-25-20-35(21-28(25)23-9-3-1-4-10-23)30(32(38)39)24-11-5-2-6-12-24/h1,3-4,7-10,13-14,22,24-26,28,30H,2,5-6,11-12,15-21H2,(H,38,39)/t25-,28+,30+/m0/s1
    MOLECULAR FORMULA
    C32H40N4O3
    CROSS REFERENCES
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    canSAR170805
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight528.31
    AlogP4.78
    HBond donors1
    HBond acceptors7
    Atoms79
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR170805.