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canSAR1129176
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NAMES
    SMILES
    O=C(N[C@@H](CC1CCCCC1)C(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1)OCc1ccccc1
    InChI
    InChI=1S/C30H30BrClN2O5/c31-22-11-14-24(15-12-22)33-28(35)25-16-13-23(32)18-27(25)39-29(36)26(17-20-7-3-1-4-8-20)34-30(37)38-19-21-9-5-2-6-10-21/h2,5-6,9-16,18,20,26H,1,3-4,7-8,17,19H2,(H,33,35)(H,34,37)/t26-/m0/s1
    MOLECULAR FORMULA
    C30H30BrClN2O5
    CROSS REFERENCES
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    canSAR1129176

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.10
    AlogP 7.53
    HBond donors 2
    HBond acceptors 7
    Atoms 69
    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 canSAR1129176.