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canSAR1588655
FEATURES
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NAMES
    SMILES
    CCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCN23)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C21H26N2O4S.C2HF3O2/c1-4-22-18(24)15-16(19(22)25)21(20(26)27-3)11-6-12-23(21)17(15)13-7-9-14(10-8-13)28-5-2;3-2(4,5)1(6)7/h7-10,15-17H,4-6,11-12H2,1-3H3;(H,6,7)/t15-,16-,17-,21+;/m1./s1
    MOLECULAR FORMULA
    C23H27F3N2O6S
    CROSS REFERENCES
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    canSAR1588655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.15
    AlogP 3.12
    HBond donors 1
    HBond acceptors 8
    Atoms 62
    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 canSAR1588655.