canSAR1503497
FEATURES
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NAMES
    SMILES
    CCN(CC)CCCN=C(S)N1CCN(c2nc(-c3ccccc3)cs2)CC1
    InChI
    InChI=1S/C21H31N5S2/c1-3-24(4-2)12-8-11-22-20(27)25-13-15-26(16-14-25)21-23-19(17-28-21)18-9-6-5-7-10-18/h5-7,9-10,17H,3-4,8,11-16H2,1-2H3,(H,22,27)
    MOLECULAR FORMULA
    C21H31N5S2
    CROSS REFERENCES
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    canSAR1503497
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight417.20
    AlogP3.95
    HBond donors0
    HBond acceptors5
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503497.