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canSAR1764940
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccncc1
    InChI
    InChI=1S/C29H40N4O4/c1-20-16-33(21(2)19-34)29(36)25-15-24(31-28(35)23-7-5-4-6-8-23)9-10-26(25)37-27(20)18-32(3)17-22-11-13-30-14-12-22/h9-15,20-21,23,27,34H,4-8,16-19H2,1-3H3,(H,31,35)/t20-,21-,27-/m1/s1
    MOLECULAR FORMULA
    C29H40N4O4
    CROSS REFERENCES
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    canSAR1764940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.30
    AlogP 3.95
    HBond donors 2
    HBond acceptors 8
    Atoms 77
    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 canSAR1764940.