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canSAR2087653
FEATURES
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NAMES
    SMILES
    CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(CC(C)C)C[C@H]12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H30N2O3S.C2HF3O2/c1-11(2)7-17-16(19)13-5-6-22(20,21)15-10-18(8-12(3)4)9-14(13)15;3-2(4,5)1(6)7/h11-15H,5-10H2,1-4H3,(H,17,19);(H,6,7)/t13-,14+,15+;/m0./s1
    MOLECULAR FORMULA
    C18H31F3N2O5S
    CROSS REFERENCES
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    canSAR2087653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.19
    AlogP 1.78
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    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 canSAR2087653.