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canSAR1152283
FEATURES
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NAMES
    SMILES
    CN1CCN(c2ccc(F)cc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1
    InChI
    InChI=1S/C36H49FN6O3S/c1-36(2,3)14-18-43-33(45)31(47-34(43)28-23-26(37)9-10-30(28)40-21-19-39(4)20-22-40)24-32(44)41-15-12-27(13-16-41)42-17-11-25-7-5-6-8-29(25)38-35(42)46/h5-10,23,27,31,34H,11-22,24H2,1-4H3,(H,38,46)
    MOLECULAR FORMULA
    C36H49FN6O3S
    CROSS REFERENCES
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    canSAR1152283

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 664.36
    AlogP 5.43
    HBond donors 1
    HBond acceptors 9
    Atoms 96
    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 canSAR1152283.