canSAR1810089
FEATURES
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NAMES
    SMILES
    CCC(C)NC(=O)CN=C(S)N(CCCN1CCOCC1)Cc1cccs1
    InChI
    InChI=1S/C19H32N4O2S2/c1-3-16(2)21-18(24)14-20-19(26)23(15-17-6-4-13-27-17)8-5-7-22-9-11-25-12-10-22/h4,6,13,16H,3,5,7-12,14-15H2,1-2H3,(H,20,26)(H,21,24)
    MOLECULAR FORMULA
    C19H32N4O2S2
    CROSS REFERENCES
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    canSAR1810089
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight412.20
    AlogP2.47
    HBond donors1
    HBond acceptors6
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810089.