canSAR2095873
FEATURES
Loading...
NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(c1ccccn1)C2
    InChI
    InChI=1S/C19H23N3O2S.2C2HF3O2/c23-18(24)19-6-3-8-21(10-15-5-9-25-13-15)11-16(19)12-22(14-19)17-4-1-2-7-20-17;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,13,16H,3,6,8,10-12,14H2,(H,23,24);2*(H,6,7)/t16-,19-;;/m0../s1
    MOLECULAR FORMULA
    C23H25F6N3O6S
    CROSS REFERENCES
    Loading...
    canSAR2095873
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight585.14
    AlogP4.21
    HBond donors3
    HBond acceptors9
    Atoms64
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095873.