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canSAR228042
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NAMES
    SMILES
    CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,40H,11,18-23H2,1-3H3/b34-31+/t33-/m1/s1
    MOLECULAR FORMULA
    C36H39N3O6
    CROSS REFERENCES
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    canSAR228042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.28
    AlogP 6.86
    HBond donors 1
    HBond acceptors 9
    Atoms 84
    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 canSAR228042.