1117949 logo
canSAR1117949
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCN(CC)CCN(Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(C)C
    InChI
    InChI=1S/C41H47F4N7OS/c1-5-49(6-2)22-23-50(28(3)4)25-37-47-48-38(52(37)24-29-10-14-31(15-11-29)32-16-18-33(19-17-32)41(43,44)45)26-51-36-9-7-8-35(36)39(53)46-40(51)54-27-30-12-20-34(42)21-13-30/h10-21,28H,5-9,22-27H2,1-4H3
    MOLECULAR FORMULA
    C41H47F4N7OS
    CROSS REFERENCES
    1117949 logo

    canSAR1117949

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 761.35
    AlogP 8.09
    HBond donors 0
    HBond acceptors 8
    Atoms 101
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1117949.