canSAR1651595
FEATURES
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NAMES
    SMILES
    COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H29N3O7S.C2HF3O2/c1-27(36(32,33)18-12-10-17(34-3)11-13-18)15-19-20-21(23(30)28(2)22(20)29)25(26-19,24(31)35-4)14-16-8-6-5-7-9-16;3-2(4,5)1(6)7/h5-13,19-21,26H,14-15H2,1-4H3;(H,6,7)/t19-,20+,21-,25-;/m1./s1
    MOLECULAR FORMULA
    C27H30F3N3O9S
    CROSS REFERENCES
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    canSAR1651595
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight629.17
    AlogP1.31
    HBond donors2
    HBond acceptors12
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651595.