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canSAR1986821
FEATURES
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NAMES
    SMILES
    Cc1c(C)c2c(OCC(=O)NCC(O)c3ccccc3)cc3c(c2oc1=O)CCC(C)(C)O3
    InChI
    InChI=1S/C26H29NO6/c1-15-16(2)25(30)32-24-18-10-11-26(3,4)33-20(18)12-21(23(15)24)31-14-22(29)27-13-19(28)17-8-6-5-7-9-17/h5-9,12,19,28H,10-11,13-14H2,1-4H3,(H,27,29)
    MOLECULAR FORMULA
    C26H29NO6
    CROSS REFERENCES
    1986821 logo

    canSAR1986821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.20
    AlogP 3.74
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1986821.