canSAR1417714
FEATURES
Loading...
NAMES
    SMILES
    COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCCC(c5nc(C)no5)C4)nc3n2)cc1CO
    InChI
    InChI=1S/C28H33N7O4/c1-17-16-38-12-11-35(17)26-22-7-8-23(19-6-9-24(37-3)21(13-19)15-36)30-25(22)31-28(32-26)34-10-4-5-20(14-34)27-29-18(2)33-39-27/h6-9,13,17,20,36H,4-5,10-12,14-16H2,1-3H3/t17-,20?/m0/s1
    MOLECULAR FORMULA
    C28H33N7O4
    CROSS REFERENCES
    Loading...
    canSAR1417714
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight531.26
    AlogP3.49
    HBond donors1
    HBond acceptors11
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417714.