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canSAR2085790
FEATURES
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NAMES
    SMILES
    NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1
    InChI
    InChI=1S/C20H24BrN3O3/c21-11-1-3-12(4-2-11)24-19(27)17-14-6-5-13(20(14)8-9-20)16(17)18(26)23-10-7-15(22)25/h1-4,13-14,16-17H,5-10H2,(H2,22,25)(H,23,26)(H,24,27)/t13-,14+,16-,17-/m1/s1
    MOLECULAR FORMULA
    C20H24BrN3O3
    CROSS REFERENCES
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    canSAR2085790

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.10
    AlogP 2.43
    HBond donors 4
    HBond acceptors 6
    Atoms 51
    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 canSAR2085790.