canSAR209603
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)Nc3ccccc3)c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1
    InChI
    InChI=1S/C38H39N5O3/c1-25-31(32-22-30(46-2)19-20-33(32)40-25)23-37(45)42-34(15-7-4-8-16-36(44)41-29-13-5-3-6-14-29)38-39-24-35(43-38)28-18-17-26-11-9-10-12-27(26)21-28/h3,5-6,9-14,17-22,24,34,40H,4,7-8,15-16,23H2,1-2H3,(H,39,43)(H,41,44)(H,42,45)/t34-/m0/s1
    MOLECULAR FORMULA
    C38H39N5O3
    CROSS REFERENCES
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    canSAR209603
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight613.31
    AlogP8.02
    HBond donors4
    HBond acceptors8
    Atoms85
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR209603.