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canSAR836696
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NAMES
    SMILES
    Cc1ccc(N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1
    InChI
    InChI=1S/C33H41ClN4O/c1-23(2)32(35)28-19-24(3)9-14-31(28)37-15-17-38(18-16-37)33(39)30-22-36(20-25-7-5-4-6-8-25)21-29(30)26-10-12-27(34)13-11-26/h4-14,19,23,29-30,32H,15-18,20-22,35H2,1-3H3/t29-,30+,32-/m0/s1
    MOLECULAR FORMULA
    C33H41ClN4O
    CROSS REFERENCES
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    canSAR836696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.30
    AlogP 5.87
    HBond donors 2
    HBond acceptors 5
    Atoms 80
    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 canSAR836696.