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canSAR993809
FEATURES
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NAMES
    SMILES
    O=C(O)[C@H]1NCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1C(=O)O
    InChI
    InChI=1S/C21H18N2O5/c24-19(23-13-12-22-17(20(25)26)18(23)21(27)28)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17-18,22H,12-13H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1
    MOLECULAR FORMULA
    C21H18N2O5
    CROSS REFERENCES
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    canSAR993809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.12
    AlogP 1.04
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    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 canSAR993809.