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canSAR2096525
FEATURES
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NAMES
    SMILES
    Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C2CCOC2)cs1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H23N3O2S.C2HF3O2/c1-11-17-12(10-22-11)8-19-15-4-6-18(13-5-7-21-9-13)14(15)2-3-16(19)20;3-2(4,5)1(6)7/h10,13-15H,2-9H2,1H3;(H,6,7)/t13?,14-,15-;/m1./s1
    MOLECULAR FORMULA
    C18H24F3N3O4S
    CROSS REFERENCES
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    canSAR2096525

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.14
    AlogP 2.44
    HBond donors 1
    HBond acceptors 7
    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 canSAR2096525.