468334 logo
canSAR468334
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(S)=N/CCCN2CCC(c3cccc(OC)c3)CC2)c1
    InChI
    InChI=1S/C33H42N4O5S/c1-21-28(31(38)41-4)30(29(22(2)35-21)32(39)42-5)25-10-6-11-26(19-25)36-33(43)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)40-3/h6-7,9-12,19-20,23,30,38H,8,13-18H2,1-5H3,(H2,34,36,43)/b31-28+
    MOLECULAR FORMULA
    C33H42N4O5S
    CROSS REFERENCES
    468334 logo

    canSAR468334

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.29
    AlogP 6.08
    HBond donors 2
    HBond acceptors 9
    Atoms 85
    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 canSAR468334.