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canSAR1021201
FEATURES
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NAMES
    SMILES
    COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)O)nn3)c3cccn3-c3ccc(Cl)cc32)c1OC
    InChI
    InChI=1S/C25H23ClN4O5/c1-33-22-7-3-5-16(24(22)34-2)23-17-13-15(26)8-9-19(17)30-11-4-6-20(30)21(35-23)10-12-29-14-18(25(31)32)27-28-29/h3-9,11,13-14,21,23H,10,12H2,1-2H3,(H,31,32)/t21-,23-/m1/s1
    MOLECULAR FORMULA
    C25H23ClN4O5
    CROSS REFERENCES
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    canSAR1021201

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.14
    AlogP 4.69
    HBond donors 1
    HBond acceptors 9
    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 canSAR1021201.