1068772 logo
canSAR1068772
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(C(C)(C)C)cc3)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C21H28N4O5/c1-12-11-25(20(29)24-18(12)27)17-9-15(26)16(30-17)10-22-19(28)23-14-7-5-13(6-8-14)21(2,3)4/h5-8,11,15-17,26H,9-10H2,1-4H3,(H2,22,23,28)(H,24,27,29)/t15-,16+,17+/m0/s1
    MOLECULAR FORMULA
    C21H28N4O5
    CROSS REFERENCES
    1068772 logo

    canSAR1068772

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.21
    AlogP 1.61
    HBond donors 4
    HBond acceptors 9
    Atoms 58
    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 canSAR1068772.