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canSAR845085
FEATURES
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NAMES
    SMILES
    O=C1N[C@H]2C=C[C@@H](O)[C@H](OC3CCCCO3)[C@@H]2c2cc3c(cc21)OCO3
    InChI
    InChI=1S/C19H21NO6/c21-13-5-4-12-17(18(13)26-16-3-1-2-6-23-16)10-7-14-15(25-9-24-14)8-11(10)19(22)20-12/h4-5,7-8,12-13,16-18,21H,1-3,6,9H2,(H,20,22)/t12-,13+,16?,17+,18-/m0/s1
    MOLECULAR FORMULA
    C19H21NO6
    CROSS REFERENCES
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    canSAR845085

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.14
    AlogP 1.45
    HBond donors 2
    HBond acceptors 7
    Atoms 47
    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 canSAR845085.