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canSAR3531
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NAMES
    SMILES
    C[C@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccccc32)C[C@@H](C)N1
    InChI
    InChI=1S/C22H29N5O3/c1-14-10-25(11-15(2)24-14)21(29)26-12-18-19(20(28)30-22(3,4)5)23-13-27(18)17-9-7-6-8-16(17)26/h6-9,13-15,24H,10-12H2,1-5H3/t14-,15+
    MOLECULAR FORMULA
    C22H29N5O3
    CROSS REFERENCES
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    canSAR3531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.23
    AlogP 2.95
    HBond donors 1
    HBond acceptors 8
    Atoms 59
    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 canSAR3531.