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canSAR565648
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NAMES
    SMILES
    CN1CCC(c2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CC1
    InChI
    InChI=1S/C35H42ClN5O2/c1-39-17-15-35(16-18-39,28-8-3-2-4-9-28)41-21-19-40(20-22-41)34(43)32(23-26-11-13-29(36)14-12-26)38-33(42)24-31-30-10-6-5-7-27(30)25-37-31/h2-14,31-32,37H,15-25H2,1H3,(H,38,42)/t31?,32-/m1/s1
    MOLECULAR FORMULA
    C35H42ClN5O2
    CROSS REFERENCES
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    canSAR565648

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.30
    AlogP 4.37
    HBond donors 2
    HBond acceptors 7
    Atoms 85
    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 canSAR565648.