1429680 logo
canSAR1429680
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCCC(O)CC2)C1
    InChI
    InChI=1S/C21H24N6O2/c28-15-4-3-10-26(11-7-15)20-18(22-8-9-23-20)14-12-27(13-14)21(29)19-24-16-5-1-2-6-17(16)25-19/h1-2,5-6,8-9,14-15,28H,3-4,7,10-13H2,(H,24,25)
    MOLECULAR FORMULA
    C21H24N6O2
    CROSS REFERENCES
    1429680 logo

    canSAR1429680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.20
    AlogP 1.94
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    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 canSAR1429680.