502241 logo
canSAR502241
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3CC(Cl)c2ccccc2)cc1
    InChI
    InChI=1S/C27H29ClN4O2/c1-18(2)34-27(33)23-15-30-26-22(25(23)29-14-13-20-11-9-19(3)10-12-20)16-31-32(26)17-24(28)21-7-5-4-6-8-21/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
    MOLECULAR FORMULA
    C27H29ClN4O2
    CROSS REFERENCES
    502241 logo

    canSAR502241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.20
    AlogP 5.94
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR502241.