66707 logo
canSAR66707
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3scc(Cl)c3n2)c1
    InChI
    InChI=1S/C33H34ClNO3S2/c1-32(2,38)26-9-4-3-7-23(26)11-14-28(40-21-33(16-17-33)19-30(36)37)24-8-5-6-22(18-24)10-12-25-13-15-29-31(35-25)27(34)20-39-29/h3-10,12-13,15,18,20,28,38H,11,14,16-17,19,21H2,1-2H3,(H,36,37)/b12-10+/t28-/m1/s1
    MOLECULAR FORMULA
    C33H34ClNO3S2
    CROSS REFERENCES
    66707 logo

    canSAR66707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.17
    AlogP 9.01
    HBond donors 2
    HBond acceptors 4
    Atoms 74
    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 canSAR66707.