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canSAR653914
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2OC)N1
    InChI
    InChI=1S/C27H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-28-26(30)24-22-32-27(29-24)23-19-16-17-20-25(23)31-2/h16-17,19-20,24,27,29H,3-15,18,21-22H2,1-2H3,(H,28,30)/t24-,27?/m0/s1
    MOLECULAR FORMULA
    C27H46N2O2S
    CROSS REFERENCES
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    canSAR653914

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.33
    AlogP 7.00
    HBond donors 2
    HBond acceptors 4
    Atoms 78
    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 canSAR653914.