784291 logo
canSAR784291
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C(C)C[C@@H]1C[C@H](C)[C@H]2CC[C@](C)(C#N)[C@H]3CCC(=C)[C@@H]1[C@@H]32
    InChI
    InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h15-20H,1,3,6-11H2,2,4-5H3/t15-,16+,17+,18-,19-,20+,21+/m0/s1
    MOLECULAR FORMULA
    C21H31N
    CROSS REFERENCES
    784291 logo

    canSAR784291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 297.25
    AlogP 5.75
    HBond donors 0
    HBond acceptors 1
    Atoms 53
    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 canSAR784291.