2206563 logo
canSAR2206563
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)N=S(C)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)cc1
    InChI
    InChI=1S/C30H34N6O5S/c1-3-40-30(37)34-42(2,38)22-9-7-21(8-10-22)24-20-26(35-15-18-39-19-16-35)33-28-23(24)11-13-31-29(28)25-12-14-32-36(25)27-6-4-5-17-41-27/h7-14,20,27H,3-6,15-19H2,1-2H3
    MOLECULAR FORMULA
    C30H34N6O5S
    CROSS REFERENCES
    2206563 logo

    canSAR2206563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.23
    AlogP 5.31
    HBond donors 0
    HBond acceptors 11
    Atoms 76
    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 canSAR2206563.