782427 logo
canSAR782427
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc(-c2cccnc2)nc1
    InChI
    InChI=1S/C30H31N9O3/c40-30(34-23-7-10-26(32-17-23)21-2-1-11-31-16-21)33-22-5-3-20(4-6-22)27-35-28(38-12-14-41-15-13-38)37-29(36-27)39-24-8-9-25(39)19-42-18-24/h1-7,10-11,16-17,24-25H,8-9,12-15,18-19H2,(H2,33,34,40)
    MOLECULAR FORMULA
    C30H31N9O3
    CROSS REFERENCES
    782427 logo

    canSAR782427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.25
    AlogP 3.84
    HBond donors 2
    HBond acceptors 12
    Atoms 73
    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 canSAR782427.