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canSAR1131209
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@@H]2NC(C)(C)N(Cc3ccccc3)C2=O)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1
    InChI
    InChI=1S/C39H44FN5O6S/c1-25(28-16-18-31(40)19-17-28)41-36(47)29-21-30(23-32(22-29)44(4)52(5,50)51)37(48)42-33(20-26-12-8-6-9-13-26)35(46)34-38(49)45(39(2,3)43-34)24-27-14-10-7-11-15-27/h6-19,21-23,25,33-35,43,46H,20,24H2,1-5H3,(H,41,47)(H,42,48)/t25-,33+,34+,35+/m1/s1
    MOLECULAR FORMULA
    C39H44FN5O6S
    CROSS REFERENCES
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    canSAR1131209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 729.30
    AlogP 4.15
    HBond donors 4
    HBond acceptors 11
    Atoms 96
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1131209.