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canSAR2092016
FEATURES
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NAMES
    SMILES
    Cc1nc[nH]c1CN1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H20N6O.C2HF3O2/c1-11-12(19-10-18-11)7-20-8-13-14(9-20)22-6-5-21(13)15-16-3-2-4-17-15;3-2(4,5)1(6)7/h2-4,10,13-14H,5-9H2,1H3,(H,18,19);(H,6,7)/t13-,14+;/m1./s1
    MOLECULAR FORMULA
    C17H21F3N6O3
    CROSS REFERENCES
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    canSAR2092016

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.16
    AlogP 1.23
    HBond donors 2
    HBond acceptors 9
    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 canSAR2092016.