canSAR539502
FEATURES
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NAMES
    SMILES
    CCCCCc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O
    InChI
    InChI=1S/C13H21N3S.C2H2O4/c1-3-4-5-8-12-13(15-17-14-12)11-7-6-9-16(2)10-11;3-1(4)2(5)6/h7H,3-6,8-10H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C15H23N3O4S
    CROSS REFERENCES
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    canSAR539502
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight341.14
    AlogP2.15
    HBond donors2
    HBond acceptors7
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539502.