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canSAR785425
FEATURES
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NAMES
    SMILES
    C#C[C@]1(O)CCC2[C@@H]3CCC4=Cc5c(cnn5-c5ccc(F)cc5)C[C@]4(C)C3=CC[C@@]21C
    InChI
    InChI=1S/C28H29FN2O/c1-4-28(32)14-12-24-22-10-5-19-15-25-18(16-26(19,2)23(22)11-13-27(24,28)3)17-30-31(25)21-8-6-20(29)7-9-21/h1,6-9,11,15,17,22,24,32H,5,10,12-14,16H2,2-3H3/t22-,24?,26+,27+,28+/m1/s1
    MOLECULAR FORMULA
    C28H29FN2O
    CROSS REFERENCES
    785425 logo

    canSAR785425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.23
    AlogP 5.48
    HBond donors 1
    HBond acceptors 3
    Atoms 61
    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 canSAR785425.