1637976 logo
canSAR1637976
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1
    InChI
    InChI=1S/C26H25ClN4O3S/c27-20-10-8-18(9-11-20)23-13-25(32)24(16-30(23)15-22-7-4-12-35-22)31-14-21(28-29-31)17-34-26(33)19-5-2-1-3-6-19/h1-12,14,23-25,32H,13,15-17H2/t23-,24-,25-/m1/s1
    MOLECULAR FORMULA
    C26H25ClN4O3S
    CROSS REFERENCES
    1637976 logo

    canSAR1637976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.13
    AlogP 4.90
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR1637976.