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canSAR1635875
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O
    InChI
    InChI=1S/C29H33ClFN3O7S2/c1-19-16-34(20(2)18-35)29(36)15-21-14-24(32-42(37,38)25-11-6-23(31)7-12-25)8-13-27(21)41-28(19)17-33(3)43(39,40)26-9-4-22(30)5-10-26/h4-14,19-20,28,32,35H,15-18H2,1-3H3/t19-,20+,28-/m1/s1
    MOLECULAR FORMULA
    C29H33ClFN3O7S2
    CROSS REFERENCES
    1635875 logo

    canSAR1635875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 653.14
    AlogP 3.75
    HBond donors 2
    HBond acceptors 10
    Atoms 76
    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 canSAR1635875.