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canSAR988174
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(Cc6cccc(SC(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O
    InChI
    InChI=1S/C32H45F3N2O2S/c1-29-12-13-31(39,19-23(29)6-7-25-26-8-9-28(38)30(26,2)11-10-27(25)29)21-37-16-14-36(15-17-37)20-22-4-3-5-24(18-22)40-32(33,34)35/h3-5,18,23,25-27,39H,6-17,19-21H2,1-2H3/t23-,25-,26-,27-,29-,30-,31+/m0/s1
    MOLECULAR FORMULA
    C32H45F3N2O2S
    CROSS REFERENCES
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    canSAR988174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.32
    AlogP 6.76
    HBond donors 1
    HBond acceptors 4
    Atoms 85
    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 canSAR988174.