836867 logo
canSAR836867
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1
    InChI
    InChI=1S/C29H32N6O4S/c36-28(21-6-8-22(9-7-21)35-12-16-39-17-13-35)31-27-26-23(32-33-27)18-25(40-26)29(37)30-24(20-4-2-1-3-5-20)19-34-10-14-38-15-11-34/h1-9,18,24H,10-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
    MOLECULAR FORMULA
    C29H32N6O4S
    CROSS REFERENCES
    836867 logo

    canSAR836867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.22
    AlogP 3.52
    HBond donors 3
    HBond acceptors 10
    Atoms 72
    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 canSAR836867.