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canSAR498807
FEATURES
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NAMES
    SMILES
    CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1
    InChI
    InChI=1S/C33H52N4O5/c1-21(2)25(20-22(3)29(39)37-19-15-18-24(37)31(41)42-11)36(10)30(40)27(32(4,5)6)35-28(38)26(34-9)33(7,8)23-16-13-12-14-17-23/h12-14,16-17,20-21,24-27,34H,15,18-19H2,1-11H3,(H,35,38)/b22-20+/t24-,25+,26+,27+/m0/s1
    MOLECULAR FORMULA
    C33H52N4O5
    CROSS REFERENCES
    498807 logo

    canSAR498807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.39
    AlogP 3.68
    HBond donors 2
    HBond acceptors 9
    Atoms 94
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR498807.