2090148 logo
canSAR2090148
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCS(=O)(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@@H]2CCCO[C@@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H25N3O4S.C2HF3O2/c1-3-23(19,20)17-14-10-18(9-13-7-11(2)22-16-13)8-12-5-4-6-21-15(12)14;3-2(4,5)1(6)7/h7,12,14-15,17H,3-6,8-10H2,1-2H3;(H,6,7)/t12-,14+,15-;/m0./s1
    MOLECULAR FORMULA
    C17H26F3N3O6S
    CROSS REFERENCES
    2090148 logo

    canSAR2090148

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.15
    AlogP 1.54
    HBond donors 2
    HBond acceptors 9
    Atoms 56
    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 canSAR2090148.