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canSAR501336
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NAMES
    SMILES
    Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccc(Cl)cc2)c1
    InChI
    InChI=1S/C31H32ClN3O/c1-21-15-22(2)17-25(16-21)31(36)35-14-12-27(19-28(35)18-23-7-9-26(32)10-8-23)34-20-24-11-13-33-30-6-4-3-5-29(24)30/h3-11,13,15-17,27-28,34H,12,14,18-20H2,1-2H3/t27-,28+/m0/s1
    MOLECULAR FORMULA
    C31H32ClN3O
    CROSS REFERENCES
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    canSAR501336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.22
    AlogP 6.51
    HBond donors 1
    HBond acceptors 4
    Atoms 68
    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 canSAR501336.