1061028 logo
canSAR1061028
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC/N=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1ccc(Cn2cnc4c(Cl)ncnc42)cc1)OCO3
    InChI
    InChI=1S/C38H36ClN5O7/c1-5-10-40-16-26-11-24-12-28-29(51-21-50-28)15-27(24)32(25-13-30(46-2)35(48-4)31(14-25)47-3)33(26)38(45)49-18-23-8-6-22(7-9-23)17-44-20-43-34-36(39)41-19-42-37(34)44/h6-9,11-16,19-20,32-33H,5,10,17-18,21H2,1-4H3/b40-16+/t32-,33-/m1/s1
    MOLECULAR FORMULA
    C38H36ClN5O7
    CROSS REFERENCES
    1061028 logo

    canSAR1061028

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 709.23
    AlogP 6.65
    HBond donors 0
    HBond acceptors 12
    Atoms 87
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061028.