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canSAR172109
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NAMES
    SMILES
    C=CC(=O)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H]2CCCN32)C(=O)O1
    InChI
    InChI=1S/C18H21N3O4/c1-2-17(22)19-9-14-10-21(18(23)25-14)12-5-6-15-16(8-12)24-11-13-4-3-7-20(13)15/h2,5-6,8,13-14H,1,3-4,7,9-11H2,(H,19,22)/t13-,14-/m0/s1
    MOLECULAR FORMULA
    C18H21N3O4
    CROSS REFERENCES
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    canSAR172109

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.15
    AlogP 1.68
    HBond donors 1
    HBond acceptors 7
    Atoms 46
    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 canSAR172109.