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canSAR1129878
FEATURES
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NAMES
    SMILES
    C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccc3s2)CC1
    InChI
    InChI=1S/C24H30N2OS/c1-3-16-26(21-13-11-19(4-2)12-14-21)17-8-7-15-25-24(27)23-18-20-9-5-6-10-22(20)28-23/h2,5-6,9-11,18,21H,3,7-8,12-17H2,1H3,(H,25,27)/t21-/m1/s1
    MOLECULAR FORMULA
    C24H30N2OS
    CROSS REFERENCES
    1129878 logo

    canSAR1129878

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.21
    AlogP 5.24
    HBond donors 1
    HBond acceptors 3
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129878.