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canSAR196590
FEATURES
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NAMES
    SMILES
    CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)OC4
    InChI
    InChI=1S/C28H25N3O4/c1-28-26(33-3)17(29-2)12-20(35-28)30-18-10-6-4-8-14(18)22-23-16(13-34-27(23)32)21-15-9-5-7-11-19(15)31(28)25(21)24(22)30/h4-11,17,20,26,29H,12-13H2,1-3H3/t17-,20?,26-,28+/m1/s1
    MOLECULAR FORMULA
    C28H25N3O4
    CROSS REFERENCES
    196590 logo

    canSAR196590

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.18
    AlogP 4.78
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR196590.