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canSAR2096816
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NAMES
    SMILES
    COc1cc(C2C3=C(COC3=O)N(C3CCCC3)c3cc4c(cc32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C25H25NO7/c1-29-20-7-13(8-21(30-2)24(20)27)22-15-9-18-19(33-12-32-18)10-16(15)26(14-5-3-4-6-14)17-11-31-25(28)23(17)22/h7-10,14,22,27H,3-6,11-12H2,1-2H3
    MOLECULAR FORMULA
    C25H25NO7
    CROSS REFERENCES
    2096816 logo

    canSAR2096816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.16
    AlogP 3.84
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096816.