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canSAR1131514
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NAMES
    SMILES
    O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1
    InChI
    InChI=1S/C28H26ClN3O4/c29-21-12-13-22-23(14-16-31-24(22)18-21)30-15-7-17-36-28(35)26(33)25(19-8-3-1-4-9-19)32-27(34)20-10-5-2-6-11-20/h1-6,8-14,16,18,25-26,33H,7,15,17H2,(H,30,31)(H,32,34)/t25-,26+/m0/s1
    MOLECULAR FORMULA
    C28H26ClN3O4
    CROSS REFERENCES
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    canSAR1131514

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.16
    AlogP 4.77
    HBond donors 3
    HBond acceptors 7
    Atoms 62
    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 canSAR1131514.