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canSAR1860333
FEATURES
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NAMES
    SMILES
    CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cnccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O
    InChI
    InChI=1S/C25H32N4O5S/c1-17(2)6-7-20-8-9-24-22(12-20)34-23(15-28(5)25(31)21-13-26-10-11-27-21)18(3)14-29(19(4)16-30)35(24,32)33/h8-13,17-19,23,30H,14-16H2,1-5H3/t18-,19-,23-/m0/s1
    MOLECULAR FORMULA
    C25H32N4O5S
    CROSS REFERENCES
    1860333 logo

    canSAR1860333

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.21
    AlogP 2.02
    HBond donors 1
    HBond acceptors 9
    Atoms 67
    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 canSAR1860333.