563519 logo
canSAR563519
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1
    InChI
    InChI=1S/C38H67N4OP/c1-6-9-26-44(27-10-7-2,28-11-8-3)30-32-22-24-35(25-23-32)39-37(43)36(29-31(4)5)42-38(40-33-18-14-12-15-19-33)41-34-20-16-13-17-21-34/h22-25,31,33-34,36H,6-21,26-30H2,1-5H3,(H2-,39,40,41,42,43)/p+1/t36-/m0/s1
    MOLECULAR FORMULA
    C38H68N4OP+
    CROSS REFERENCES
    563519 logo

    canSAR563519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.51
    AlogP 10.16
    HBond donors 3
    HBond acceptors 5
    Atoms 112
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563519.