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canSAR1091012
FEATURES
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NAMES
    SMILES
    O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(C5(O)CCCC5)nc4)ccc3N12
    InChI
    InChI=1S/C21H22N2O5/c24-11-18-16-12-27-17-9-13(3-5-15(17)23(16)20(25)28-18)14-4-6-19(22-10-14)21(26)7-1-2-8-21/h3-6,9-10,16,18,24,26H,1-2,7-8,11-12H2/t16-,18-/m0/s1
    MOLECULAR FORMULA
    C21H22N2O5
    CROSS REFERENCES
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    canSAR1091012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.15
    AlogP 2.59
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    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 canSAR1091012.