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canSAR1154275
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NAMES
    SMILES
    CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccncc2)c1
    InChI
    InChI=1S/C25H29N3O4S/c1-4-14-28(25(32)27-22(24(30)31)17-33-16-18(2)3)23(29)21-7-5-6-20(15-21)9-8-19-10-12-26-13-11-19/h5-7,10-13,15,18,22H,4,14,16-17H2,1-3H3,(H,27,32)(H,30,31)/t22-/m0/s1
    MOLECULAR FORMULA
    C25H29N3O4S
    CROSS REFERENCES
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    canSAR1154275

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.19
    AlogP 3.89
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    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 canSAR1154275.