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canSAR56477
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NAMES
    SMILES
    Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)O)[C@@H](C)OC2(C)CCCC2)c(C)c1
    InChI
    InChI=1S/C31H37N3O5/c1-18-14-19(2)26(20(3)15-18)34-30(38)32-25-17-23-11-7-6-10-22(23)16-24(25)28(35)33-27(29(36)37)21(4)39-31(5)12-8-9-13-31/h6-7,10-11,14-17,21,27H,8-9,12-13H2,1-5H3,(H,33,35)(H,36,37)(H2,32,34,38)/t21-,27+/m1/s1
    MOLECULAR FORMULA
    C31H37N3O5
    CROSS REFERENCES
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    canSAR56477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.27
    AlogP 6.33
    HBond donors 4
    HBond acceptors 8
    Atoms 76
    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 canSAR56477.