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canSAR2019138
FEATURES
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NAMES
    SMILES
    CC(C)(C)Cn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(F)ccc21
    InChI
    InChI=1S/C27H31FN4O4/c1-26(2,3)16-32-23-9-6-19(28)14-21(23)22(29-32)15-30-12-10-27(11-13-30)17-31(25(35)36-27)20-7-4-18(5-8-20)24(33)34/h4-9,14H,10-13,15-17H2,1-3H3,(H,33,34)
    MOLECULAR FORMULA
    C27H31FN4O4
    CROSS REFERENCES
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    canSAR2019138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.23
    AlogP 4.91
    HBond donors 1
    HBond acceptors 8
    Atoms 67
    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 canSAR2019138.