650641 logo
canSAR650641
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=S(=O)(c1cccc2cccnc12)N(CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)CC1CC1
    InChI
    InChI=1S/C27H31F3N4O2S/c28-27(29,30)23-7-2-8-24(19-23)33-17-15-32(16-18-33)13-4-14-34(20-21-10-11-21)37(35,36)25-9-1-5-22-6-3-12-31-26(22)25/h1-3,5-9,12,19,21H,4,10-11,13-18,20H2
    MOLECULAR FORMULA
    C27H31F3N4O2S
    CROSS REFERENCES
    650641 logo

    canSAR650641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.21
    AlogP 4.87
    HBond donors 0
    HBond acceptors 6
    Atoms 68
    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 canSAR650641.