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canSAR1142907
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NAMES
    SMILES
    C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@H](CSC)NC(C)=O)OC
    InChI
    InChI=1S/C21H35NO2S/c1-6-12-21(24-4)16-15-18(2)13-10-8-7-9-11-14-20(17-25-5)22-19(3)23/h6,8,10-11,13-14,20-21H,1,7,9,12,15-17H2,2-5H3,(H,22,23)/b10-8+,14-11-,18-13+/t20-,21+/m1/s1
    MOLECULAR FORMULA
    C21H35NO2S
    CROSS REFERENCES
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    canSAR1142907

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.24
    AlogP 5.06
    HBond donors 1
    HBond acceptors 3
    Atoms 60
    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 canSAR1142907.