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canSAR144235
FEATURES
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NAMES
    SMILES
    O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1
    InChI
    InChI=1S/C30H30ClN3O5/c31-24-7-4-8-25(17-24)33-30(39)34(26-15-13-22(14-16-26)21-5-2-1-3-6-21)19-20-9-11-23(12-10-20)28(36)32-18-27(35)29(37)38/h4-5,7-17,27,35H,1-3,6,18-19H2,(H,32,36)(H,33,39)(H,37,38)/t27-/m1/s1
    MOLECULAR FORMULA
    C30H30ClN3O5
    CROSS REFERENCES
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    canSAR144235

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.19
    AlogP 5.71
    HBond donors 4
    HBond acceptors 8
    Atoms 69
    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 canSAR144235.