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canSAR1012643
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2n1c(=S)n(-c2ccccc2)c(=O)c2cc(F)ccc21
    InChI
    InChI=1S/C33H35FN2O2S/c1-32-16-14-23(37)18-20(32)8-10-24-26-11-13-29(33(26,2)17-15-27(24)32)36-28-12-9-21(34)19-25(28)30(38)35(31(36)39)22-6-4-3-5-7-22/h3-7,9,12,18-19,24,26-27,29H,8,10-11,13-17H2,1-2H3/t24-,26-,27-,29-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C33H35FN2O2S
    CROSS REFERENCES
    1012643 logo

    canSAR1012643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.24
    AlogP 7.73
    HBond donors 0
    HBond acceptors 4
    Atoms 74
    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 canSAR1012643.