101716 logo
canSAR101716
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1[nH]nc2c1CCCc1c-2[nH]c2cc3c(cc12)NC(=O)C3(C)C
    InChI
    InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-15-13(19(2,3)18(24)21-15)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)
    MOLECULAR FORMULA
    C19H20N4O
    CROSS REFERENCES
    101716 logo

    canSAR101716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 320.16
    AlogP 3.58
    HBond donors 3
    HBond acceptors 5
    Atoms 44
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR101716.