1146725 logo
canSAR1146725
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC(C=O)=C(n6cncn6)[C@@]5(C)CC[C@@H]43)C2)cc1
    InChI
    InChI=1S/C30H35N3O3/c1-19-4-6-20(7-5-19)28(35)36-23-10-12-29(2)22(15-23)8-9-24-25(29)11-13-30(3)26(24)14-21(16-34)27(30)33-18-31-17-32-33/h4-8,16-18,23-26H,9-15H2,1-3H3/t23-,24+,25-,26-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H35N3O3
    CROSS REFERENCES
    1146725 logo

    canSAR1146725

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.27
    AlogP 5.79
    HBond donors 0
    HBond acceptors 6
    Atoms 71
    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 canSAR1146725.