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canSAR1432924
FEATURES
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NAMES
    SMILES
    COc1ccc(CNCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC.O=C(O)C(=O)O
    InChI
    InChI=1S/C23H31NO4.C2H2O4/c1-14-15(2)22-18(16(3)21(14)25)9-10-23(4,28-22)13-24-12-17-7-8-19(26-5)20(11-17)27-6;3-1(4)2(5)6/h7-8,11,24-25H,9-10,12-13H2,1-6H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C25H33NO8
    CROSS REFERENCES
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    canSAR1432924

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.22
    AlogP 3.36
    HBond donors 4
    HBond acceptors 9
    Atoms 67
    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 canSAR1432924.