2020672 logo
canSAR2020672
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CC(O)CO)c5cccc(C#N)c5)nc(N)n4)c3c2)cn1
    InChI
    InChI=1S/C25H23N9O2/c1-33-12-17(10-30-33)16-6-20-21(11-29-24(20)28-9-16)22-7-23(32-25(27)31-22)34(13-19(36)14-35)18-4-2-3-15(5-18)8-26/h2-7,9-12,19,35-36H,13-14H2,1H3,(H,28,29)(H2,27,31,32)
    MOLECULAR FORMULA
    C25H23N9O2
    CROSS REFERENCES
    2020672 logo

    canSAR2020672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.20
    AlogP 2.37
    HBond donors 5
    HBond acceptors 11
    Atoms 59
    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 canSAR2020672.