1861456 logo
canSAR1861456
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCC[C@H]6C(=O)O)nc5)n4)CCC3)cn2)cn1
    InChI
    InChI=1S/C25H24N8O3/c26-24-29-12-16(13-30-24)18-6-5-17(14-27-18)25(8-2-9-25)23-31-21(36-32-23)15-4-7-20(28-11-15)33-10-1-3-19(33)22(34)35/h4-7,11-14,19H,1-3,8-10H2,(H,34,35)(H2,26,29,30)/t19-/m0/s1
    MOLECULAR FORMULA
    C25H24N8O3
    CROSS REFERENCES
    1861456 logo

    canSAR1861456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.20
    AlogP 3.09
    HBond donors 3
    HBond acceptors 11
    Atoms 60
    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 canSAR1861456.