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canSAR788041
FEATURES
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NAMES
    SMILES
    C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCCc3ccccn3)[C@@H]2CC1
    InChI
    InChI=1S/C22H30N2O3/c1-15-6-5-11-22(2)20(27-22)19-17(9-8-15)18(21(25)26-19)14-23-13-10-16-7-3-4-12-24-16/h3-4,6-7,12,17-20,23H,5,8-11,13-14H2,1-2H3/b15-6-/t17-,18-,19-,20-,22+/m0/s1
    MOLECULAR FORMULA
    C22H30N2O3
    CROSS REFERENCES
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    canSAR788041

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.23
    AlogP 3.05
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR788041.