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canSAR1827195
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)NC1=O.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H19BrN6O2.C2HF3O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20;3-2(4,5)1(6)7/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21);(H,6,7)/b14-6-;/t12-;/m0./s1
    MOLECULAR FORMULA
    C19H20BrF3N6O4
    CROSS REFERENCES
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    canSAR1827195

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.07
    AlogP 1.78
    HBond donors 8
    HBond acceptors 10
    Atoms 53
    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 canSAR1827195.