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canSAR546005
FEATURES
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NAMES
    SMILES
    C=CCc1cc(CC(N)=O)ccc1OCC(O)C(C)NC(C)(C)C.O=C(O)C(=O)O
    InChI
    InChI=1S/C19H30N2O3.C2H2O4/c1-6-7-15-10-14(11-18(20)23)8-9-17(15)24-12-16(22)13(2)21-19(3,4)5;3-1(4)2(5)6/h6,8-10,13,16,21-22H,1,7,11-12H2,2-5H3,(H2,20,23);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C21H32N2O7
    CROSS REFERENCES
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    canSAR546005

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.22
    AlogP 1.11
    HBond donors 6
    HBond acceptors 9
    Atoms 62
    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 canSAR546005.