829869 logo
canSAR829869
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCC1)c1ccccc1
    InChI
    InChI=1S/C28H42N6O/c1-20(2)27-31-30-21(3)34(27)26-18-24-14-15-25(19-26)32(24)16-9-17-33(23-12-5-4-6-13-23)28(35)29-22-10-7-8-11-22/h4-6,12-13,20,22,24-26H,7-11,14-19H2,1-3H3,(H,29,35)/t24-,25+,26+
    MOLECULAR FORMULA
    C28H42N6O
    CROSS REFERENCES
    829869 logo

    canSAR829869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.34
    AlogP 5.43
    HBond donors 1
    HBond acceptors 7
    Atoms 77
    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 canSAR829869.