673040 logo
canSAR673040
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCCO)nc(Nc5ccccc5)n4)cc3)c2c1
    InChI
    InChI=1S/C32H29ClN8O2/c1-43-24-13-15-27-26(19-24)29(25-14-8-20(33)18-28(25)38-27)35-22-9-11-23(12-10-22)37-32-40-30(34-16-5-17-42)39-31(41-32)36-21-6-3-2-4-7-21/h2-4,6-15,18-19,42H,5,16-17H2,1H3,(H,35,38)(H3,34,36,37,39,40,41)
    MOLECULAR FORMULA
    C32H29ClN8O2
    CROSS REFERENCES
    673040 logo

    canSAR673040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.21
    AlogP 7.26
    HBond donors 5
    HBond acceptors 10
    Atoms 72
    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 canSAR673040.