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canSAR1828025
FEATURES
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NAMES
    SMILES
    CO[C@H]1C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](NCCC(F)(F)F)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O
    InChI
    InChI=1S/C35H52F3N5O7/c1-20-16-24-30(41-14-15-43(5)6)26(44)19-25(31(24)45)42-33(46)21(2)10-9-11-27(48-7)32(50-34(39)47)23(4)18-22(3)29(28(17-20)49-8)40-13-12-35(36,37)38/h9-11,14,18-20,22,27-29,32,40,44-45H,12-13,15-17H2,1-8H3,(H2,39,47)(H,42,46)/b11-9?,21-10?,23-18+,41-14?/t20-,22+,27+,28+,29-,32+/m1/s1
    MOLECULAR FORMULA
    C35H52F3N5O7
    CROSS REFERENCES
    1828025 logo

    canSAR1828025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 711.38
    AlogP 5.37
    HBond donors 6
    HBond acceptors 12
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1828025.