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canSAR1722552
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NAMES
    SMILES
    CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nncs1
    InChI
    InChI=1S/C18H15N5O3S/c1-18(25,17-22-20-10-27-17)5-4-11-2-3-14-12(8-11)16-21-13(15(19)24)9-23(16)6-7-26-14/h2-3,8-10,25H,6-7H2,1H3,(H2,19,24)
    MOLECULAR FORMULA
    C18H15N5O3S
    CROSS REFERENCES
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    canSAR1722552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.09
    AlogP 1.15
    HBond donors 3
    HBond acceptors 8
    Atoms 42
    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 canSAR1722552.