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canSAR1987612
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NAMES
    SMILES
    OCCNc1ncnc2c1ncn2[C@H]1CN(Cc2cccs2)C[C@@H](CO)O1
    InChI
    InChI=1S/C17H22N6O3S/c24-4-3-18-16-15-17(20-10-19-16)23(11-21-15)14-8-22(6-12(9-25)26-14)7-13-2-1-5-27-13/h1-2,5,10-12,14,24-25H,3-4,6-9H2,(H,18,19,20)/t12-,14+/m0/s1
    MOLECULAR FORMULA
    C17H22N6O3S
    CROSS REFERENCES
    1987612 logo

    canSAR1987612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.15
    AlogP 0.68
    HBond donors 3
    HBond acceptors 9
    Atoms 49
    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 canSAR1987612.