1065811 logo
canSAR1065811
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(CCSSc1ccccn1)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1
    InChI
    InChI=1S/C39H31ClN6O4S2/c40-20-24-21-46(33-19-34(47)27-5-1-2-6-28(27)37(24)33)39(50)32-18-23-16-26(9-11-30(23)45-32)43-38(49)31-17-22-15-25(8-10-29(22)44-31)42-35(48)12-14-51-52-36-7-3-4-13-41-36/h1-11,13,15-19,24,44-45,47H,12,14,20-21H2,(H,42,48)(H,43,49)/t24-/m1/s1
    MOLECULAR FORMULA
    C39H31ClN6O4S2
    CROSS REFERENCES
    1065811 logo

    canSAR1065811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 746.15
    AlogP 8.91
    HBond donors 5
    HBond acceptors 10
    Atoms 83
    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 canSAR1065811.