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canSAR1594042
FEATURES
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NAMES
    SMILES
    CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C32H32F3N3O7S.C2HF3O2/c1-3-37(46(42,43)24-16-14-23(15-17-24)45-32(33,34)35)20-25-26-27(29(40)38(28(26)39)19-22-12-8-5-9-13-22)31(36-25,30(41)44-2)18-21-10-6-4-7-11-21;3-2(4,5)1(6)7/h4-17,25-27,36H,3,18-20H2,1-2H3;(H,6,7)/t25-,26+,27-,31-;/m1./s1
    MOLECULAR FORMULA
    C34H33F6N3O9S
    CROSS REFERENCES
    1594042 logo

    canSAR1594042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 773.18
    AlogP 4.16
    HBond donors 2
    HBond acceptors 12
    Atoms 86
    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 canSAR1594042.