canSAR2080495
FEATURES
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NAMES
    SMILES
    O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H20FN5O2.2C2HF3O2/c19-14-9-22-18(23-10-14)24-5-3-13-6-15(26-16(13)11-24)17(25)21-8-12-2-1-4-20-7-12;2*3-2(4,5)1(6)7/h1-2,4,7,9-10,13,15-16H,3,5-6,8,11H2,(H,21,25);2*(H,6,7)/t13-,15-,16-;;/m0../s1
    MOLECULAR FORMULA
    C22H22F7N5O6
    CROSS REFERENCES
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    canSAR2080495
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight585.15
    AlogP2.58
    HBond donors3
    HBond acceptors11
    Atoms62
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080495.