1864669 logo
canSAR1864669
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(N/C(=N/C2CCCC(C)C2C)Nc2nccs2)c2ccccc2n1.Cl
    InChI
    InChI=1S/C22H27N5S.ClH/c1-14-7-6-10-18(16(14)3)25-21(27-22-23-11-12-28-22)26-20-13-15(2)24-19-9-5-4-8-17(19)20;/h4-5,8-9,11-14,16,18H,6-7,10H2,1-3H3,(H2,23,24,25,26,27);1H
    MOLECULAR FORMULA
    C22H28ClN5S
    CROSS REFERENCES
    1864669 logo

    canSAR1864669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.18
    AlogP 6.13
    HBond donors 2
    HBond acceptors 5
    Atoms 57
    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 canSAR1864669.