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canSAR465706
FEATURES
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NAMES
    SMILES
    CCCCCCCC/C=C\CCCCCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O
    InChI
    InChI=1S/C30H43ClN2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-35-30(26-19-21-27(31)22-20-26)28-32-36-29(34)33(28)25(2)24-37-30/h10-11,19-22,24H,3-9,12-18,23H2,1-2H3/b11-10-/t30-/m0/s1
    MOLECULAR FORMULA
    C30H43ClN2O3S
    CROSS REFERENCES
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    canSAR465706

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.27
    AlogP 9.31
    HBond donors 0
    HBond acceptors 5
    Atoms 80
    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 canSAR465706.