1129123 logo
canSAR1129123
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)CCNC(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
    InChI
    InChI=1S/C34H42N6O3S/c1-38(2)18-16-35-32(41)28-13-14-30-31(25-28)44-33(36-30)37-34(42)40(20-19-39-21-23-43-24-22-39)17-15-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,25,29H,15-24H2,1-2H3,(H,35,41)(H,36,37,42)
    MOLECULAR FORMULA
    C34H42N6O3S
    CROSS REFERENCES
    1129123 logo

    canSAR1129123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.30
    AlogP 4.98
    HBond donors 2
    HBond acceptors 9
    Atoms 86
    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 canSAR1129123.