778068 logo
canSAR778068
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(=O)NC1=NN(C(=O)CC)C2(S1)C1CCCC2C(c2cccc(OC)c2)N(C(=O)CC)C1c1cccc(OC)c1
    InChI
    InChI=1S/C32H40N4O5S/c1-6-26(37)33-31-34-36(28(39)8-3)32(42-31)24-16-11-17-25(32)30(21-13-10-15-23(19-21)41-5)35(27(38)7-2)29(24)20-12-9-14-22(18-20)40-4/h9-10,12-15,18-19,24-25,29-30H,6-8,11,16-17H2,1-5H3,(H,33,34,37)
    MOLECULAR FORMULA
    C32H40N4O5S
    CROSS REFERENCES
    778068 logo

    canSAR778068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.27
    AlogP 5.63
    HBond donors 1
    HBond acceptors 9
    Atoms 82
    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 canSAR778068.