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canSAR1768908
FEATURES
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NAMES
    SMILES
    CC(C)CN(C[C@@H](O)[C@@H](C=C[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
    InChI
    InChI=1S/C35H43N3O6S3/c1-26(2)23-38(47(43,44)34-19-15-31(36)16-20-34)24-35(39)30(21-27-9-5-4-6-10-27)13-17-32(37-46(3,41)42)25-45(40)33-18-14-28-11-7-8-12-29(28)22-33/h4-20,22,26,30,32,35,37,39H,21,23-25,36H2,1-3H3/t30-,32-,35+,45?/m0/s1
    MOLECULAR FORMULA
    C35H43N3O6S3
    CROSS REFERENCES
    1768908 logo

    canSAR1768908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 697.23
    AlogP 4.57
    HBond donors 4
    HBond acceptors 9
    Atoms 90
    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 canSAR1768908.