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canSAR1831249
FEATURES
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NAMES
    SMILES
    CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2
    InChI
    InChI=1S/C28H34FN3O4/c1-18(2)8-6-9-21-12-24-26(30-14-21)36-25(19(3)15-32(28(24)35)20(4)17-33)16-31(5)27(34)22-10-7-11-23(29)13-22/h7,10-14,18-20,25,33H,8,15-17H2,1-5H3/t19-,20+,25-/m1/s1
    MOLECULAR FORMULA
    C28H34FN3O4
    CROSS REFERENCES
    1831249 logo

    canSAR1831249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.25
    AlogP 3.61
    HBond donors 1
    HBond acceptors 7
    Atoms 70
    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 canSAR1831249.