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canSAR790108
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21
    InChI
    InChI=1S/C21H25N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,12,16-18,22H,5,8-11H2,1-2H3/t16-,17+,18-/m0/s1
    MOLECULAR FORMULA
    C21H25N3O2
    CROSS REFERENCES
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    canSAR790108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.19
    AlogP 3.01
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR790108.