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canSAR1433444
FEATURES
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NAMES
    SMILES
    CCN1CCN(C(S)=NCCc2ccccc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C15H23N3S.C2H2O4/c1-2-17-10-12-18(13-11-17)15(19)16-9-8-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7H,2,8-13H2,1H3,(H,16,19);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C17H25N3O4S
    CROSS REFERENCES
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    canSAR1433444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.16
    AlogP 1.31
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    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 canSAR1433444.