829741 logo
canSAR829741
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)n1ncc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]43C)[C@@]1(C)C2
    InChI
    InChI=1S/C33H48N2O3/c1-20(36)35-26-21(19-34-35)17-30(6)24(29(26,4)5)11-12-32(8)25(30)10-9-22-23-18-28(2,3)13-15-33(23,27(37)38)16-14-31(22,32)7/h9,19,23-25H,10-18H2,1-8H3,(H,37,38)/t23-,24-,25+,30-,31+,32+,33-/m0/s1
    MOLECULAR FORMULA
    C33H48N2O3
    CROSS REFERENCES
    829741 logo

    canSAR829741

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.37
    AlogP 7.44
    HBond donors 1
    HBond acceptors 5
    Atoms 86
    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 canSAR829741.