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canSAR1768319
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC(=O)O5)[C@@H]1CCC2=O
    InChI
    InChI=1S/C29H36F3NO5S/c1-26-13-14-28(15-19(26)5-8-21-22-9-10-24(34)27(22,2)12-11-23(21)26)17-33(16-25(35)38-28)39(36,37)20-6-3-18(4-7-20)29(30,31)32/h3-4,6-7,19,21-23H,5,8-17H2,1-2H3/t19-,21-,22-,23-,26-,27-,28+/m0/s1
    MOLECULAR FORMULA
    C29H36F3NO5S
    CROSS REFERENCES
    1768319 logo

    canSAR1768319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.23
    AlogP 5.60
    HBond donors 0
    HBond acceptors 6
    Atoms 75
    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 canSAR1768319.