785149 logo
canSAR785149
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O
    InChI
    InChI=1S/C35H53NO4/c1-33(2,31(37)38)17-8-5-6-9-18-34(3,4)32(39)40-27-16-15-26-22-30-28-14-7-10-19-35(28,29(26)23-27)20-21-36(30)24-25-12-11-13-25/h15-16,23,25,28,30H,5-14,17-22,24H2,1-4H3,(H,37,38)/t28-,30+,35+/m0/s1
    MOLECULAR FORMULA
    C35H53NO4
    CROSS REFERENCES
    785149 logo

    canSAR785149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.40
    AlogP 7.93
    HBond donors 1
    HBond acceptors 5
    Atoms 93
    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 canSAR785149.