canSAR2080162
FEATURES
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NAMES
    SMILES
    Cc1nnc(N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H20N4O2S.2C2HF3O2/c1-11-18-19-16(23-11)20-9-14(15-13(20)3-2-8-21-15)22-10-12-4-6-17-7-5-12;2*3-2(4,5)1(6)7/h4-7,13-15H,2-3,8-10H2,1H3;2*(H,6,7)/t13-,14+,15+;;/m1../s1
    MOLECULAR FORMULA
    C20H22F6N4O6S
    CROSS REFERENCES
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    canSAR2080162
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight560.12
    AlogP3.46
    HBond donors2
    HBond acceptors10
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080162.