2281988 logo
canSAR2281988
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cccc(C(N)=O)c1)c1ccc(cc1)CCOC(=O)N2
    InChI
    InChI=1S/C29H32N4O6S/c1-18(2)40(37,38)25-12-11-24-16-22(25)17-33(3)28(35)26(31-23-6-4-5-21(15-23)27(30)34)20-9-7-19(8-10-20)13-14-39-29(36)32-24/h4-12,15-16,18,26,31H,13-14,17H2,1-3H3,(H2,30,34)(H,32,36)/t26-/m1/s1
    MOLECULAR FORMULA
    C29H32N4O6S
    CROSS REFERENCES
    2281988 logo

    canSAR2281988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.20
    AlogP 3.88
    HBond donors 4
    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 canSAR2281988.