501753 logo
canSAR501753
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)COC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC(C)C)c1ccc(-c2nc(N)sc2CC(C)C)o1
    InChI
    InChI=1S/C25H41N4O6PS/c1-14(2)11-20-22(27-25(26)37-20)19-9-10-21(35-19)36(32,28-17(7)23(30)33-12-15(3)4)29-18(8)24(31)34-13-16(5)6/h9-10,14-18H,11-13H2,1-8H3,(H2,26,27)(H2,28,29,32)/t17-,18-/m0/s1
    MOLECULAR FORMULA
    C25H41N4O6PS
    CROSS REFERENCES
    501753 logo

    canSAR501753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.25
    AlogP 4.36
    HBond donors 4
    HBond acceptors 10
    Atoms 78
    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 canSAR501753.