2086571 logo
canSAR2086571
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(CN2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)oc1C.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C14H22N2O3S.C2HF3O2/c1-10-8-12(19-11(10)2)9-15-6-4-14-13(15)5-7-16(14)20(3,17)18;3-2(4,5)1(6)7/h8,13-14H,4-7,9H2,1-3H3;(H,6,7)/t13-,14+;/m1./s1
    MOLECULAR FORMULA
    C16H23F3N2O5S
    CROSS REFERENCES
    2086571 logo

    canSAR2086571

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.13
    AlogP 2.14
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    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 canSAR2086571.