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canSAR5580
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1
    InChI
    InChI=1S/C29H35N3O5/c1-19(2)15-24(18-27(34)32-37)28(35)31-26(17-21-7-10-22-5-3-4-6-23(22)16-21)29(36)30-14-13-20-8-11-25(33)12-9-20/h3-12,16,19,24,26,33,37H,13-15,17-18H2,1-2H3,(H,30,36)(H,31,35)(H,32,34)/t24-,26-/m1/s1
    MOLECULAR FORMULA
    C29H35N3O5
    CROSS REFERENCES
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    canSAR5580

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.26
    AlogP 3.49
    HBond donors 5
    HBond acceptors 8
    Atoms 72
    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 canSAR5580.