1088605 logo
canSAR1088605
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4cnccc4s3)ccc2o1
    InChI
    InChI=1S/C22H20N4O3S/c1-13(27)26-11-15-8-16(26)10-25(15)12-18-7-14-6-17(2-3-20(14)28-18)29-22-24-19-9-23-5-4-21(19)30-22/h2-7,9,15-16H,8,10-12H2,1H3
    MOLECULAR FORMULA
    C22H20N4O3S
    CROSS REFERENCES
    1088605 logo

    canSAR1088605

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.13
    AlogP 4.03
    HBond donors 0
    HBond acceptors 7
    Atoms 50
    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 canSAR1088605.