745056 logo
canSAR745056
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(C)c1ccc(COc2ccc(CN(CCCN)Cc3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C39H50N2O2.C2HF3O2/c1-38(2,3)34-16-8-32(9-17-34)28-42-36-20-12-30(13-21-36)26-41(25-7-24-40)27-31-14-22-37(23-15-31)43-29-33-10-18-35(19-11-33)39(4,5)6;3-2(4,5)1(6)7/h8-23H,7,24-29,40H2,1-6H3;(H,6,7)
    MOLECULAR FORMULA
    C41H51F3N2O4
    CROSS REFERENCES
    745056 logo

    canSAR745056

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 692.38
    AlogP 9.42
    HBond donors 3
    HBond acceptors 6
    Atoms 101
    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 canSAR745056.