1990081 logo
canSAR1990081
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ncnc2c1ncn2CCCN[C@H](C)c1cccc2ccccc12
    InChI
    InChI=1S/C21H23N5O/c1-15(17-10-5-8-16-7-3-4-9-18(16)17)22-11-6-12-26-14-25-19-20(26)23-13-24-21(19)27-2/h3-5,7-10,13-15,22H,6,11-12H2,1-2H3/t15-/m1/s1
    MOLECULAR FORMULA
    C21H23N5O
    CROSS REFERENCES
    1990081 logo

    canSAR1990081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.19
    AlogP 3.73
    HBond donors 1
    HBond acceptors 6
    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 canSAR1990081.