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canSAR1522105
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
    InChI
    InChI=1S/C41H44N6O5/c1-26-22-47(27(2)25-48)40(50)33-21-31(43-41(51)45-35-14-8-10-29-9-4-5-11-32(29)35)19-20-37(33)52-38(26)24-46(3)23-28-15-17-30(18-16-28)39(49)44-36-13-7-6-12-34(36)42/h4-21,26-27,38,48H,22-25,42H2,1-3H3,(H,44,49)(H2,43,45,51)/t26-,27-,38-/m1/s1
    MOLECULAR FORMULA
    C41H44N6O5
    CROSS REFERENCES
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    canSAR1522105

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 700.34
    AlogP 6.67
    HBond donors 6
    HBond acceptors 11
    Atoms 96
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522105.