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canSAR792692
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NAMES
    SMILES
    CCCN1Cc2cc(OC)c(OC)cc2[C@@H]2[C@H]1c1cc3c(cc1[C@@H]2O)OCO3
    InChI
    InChI=1S/C22H25NO5/c1-4-5-23-10-12-6-16(25-2)17(26-3)7-13(12)20-21(23)14-8-18-19(28-11-27-18)9-15(14)22(20)24/h6-9,20-22,24H,4-5,10-11H2,1-3H3/t20-,21-,22+/m1/s1
    MOLECULAR FORMULA
    C22H25NO5
    CROSS REFERENCES
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    canSAR792692

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.17
    AlogP 3.53
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR792692.