2020797 logo
canSAR2020797
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCN1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1
    InChI
    InChI=1S/C27H33ClN4O3/c1-2-3-4-8-15-31-18-26(33)25(16-24(31)20-11-13-22(28)14-12-20)32-17-23(29-30-32)19-35-27(34)21-9-6-5-7-10-21/h5-7,9-14,17,24-26,33H,2-4,8,15-16,18-19H2,1H3/t24-,25-,26-/m1/s1
    MOLECULAR FORMULA
    C27H33ClN4O3
    CROSS REFERENCES
    2020797 logo

    canSAR2020797

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.22
    AlogP 5.22
    HBond donors 1
    HBond acceptors 7
    Atoms 68
    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 canSAR2020797.