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canSAR842574
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)CC(=O)Nc2ccccc2)ccc1OC(C)=O
    InChI
    InChI=1S/C21H20ClN3O6/c1-12(26)31-15-9-8-13(10-16(15)30-2)20-19(22)21(29)25(20)24-18(28)11-17(27)23-14-6-4-3-5-7-14/h3-10,19-20H,11H2,1-2H3,(H,23,27)(H,24,28)/t19-,20+/m0/s1
    MOLECULAR FORMULA
    C21H20ClN3O6
    CROSS REFERENCES
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    canSAR842574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.10
    AlogP 2.17
    HBond donors 2
    HBond acceptors 9
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR842574.