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canSAR2049225
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NAMES
    SMILES
    CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(C(=O)N[C@@H](CCc2ccccc2)c2nc(C3CC3)no2)CCCC1
    InChI
    InChI=1S/C31H44N4O5/c1-20(2)19-24(39-29(38)30(3,4)5)26(36)34-31(17-9-10-18-31)28(37)32-23(16-13-21-11-7-6-8-12-21)27-33-25(35-40-27)22-14-15-22/h6-8,11-12,20,22-24H,9-10,13-19H2,1-5H3,(H,32,37)(H,34,36)/t23-,24-/m0/s1
    MOLECULAR FORMULA
    C31H44N4O5
    CROSS REFERENCES
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    canSAR2049225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.33
    AlogP 5.17
    HBond donors 2
    HBond acceptors 9
    Atoms 84
    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 canSAR2049225.