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canSAR991172
FEATURES
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NAMES
    SMILES
    CC(Cc1nc2ccccc2s1)(C(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1)c1ccccc1
    InChI
    InChI=1S/C38H35N5O5S/c1-37(26-11-4-2-5-12-26,25-32-39-30-15-8-9-16-31(30)49-32)35(46)42-21-10-22-43(24-23-42)38(33(44)40-36(47)41-34(38)45)27-17-19-29(20-18-27)48-28-13-6-3-7-14-28/h2-9,11-20H,10,21-25H2,1H3,(H2,40,41,44,45,47)
    MOLECULAR FORMULA
    C38H35N5O5S
    CROSS REFERENCES
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    canSAR991172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 673.24
    AlogP 5.38
    HBond donors 2
    HBond acceptors 10
    Atoms 84
    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 canSAR991172.