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canSAR561593
FEATURES
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NAMES
    SMILES
    CC[C@@H](CNc1ccc(OCC(=O)O)cc1)NC(=O)C1(Nc2cccc(-c3ccccc3)c2)CCCCC1.Cl.Cl
    InChI
    InChI=1S/C31H37N3O4.2ClH/c1-2-25(21-32-26-14-16-28(17-15-26)38-22-29(35)36)33-30(37)31(18-7-4-8-19-31)34-27-13-9-12-24(20-27)23-10-5-3-6-11-23;;/h3,5-6,9-17,20,25,32,34H,2,4,7-8,18-19,21-22H2,1H3,(H,33,37)(H,35,36);2*1H/t25-;;/m0../s1
    MOLECULAR FORMULA
    C31H39Cl2N3O4
    CROSS REFERENCES
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    canSAR561593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.23
    AlogP 6.78
    HBond donors 4
    HBond acceptors 7
    Atoms 79
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR561593.