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canSAR1093206
FEATURES
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NAMES
    SMILES
    C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c(-c4nccs4)ccnc23)CCN1C(=O)c1ccccc1
    InChI
    InChI=1S/C24H21N5O3S/c1-15-14-28(10-11-29(15)23(31)16-5-3-2-4-6-16)24(32)21(30)18-13-27-19-17(7-8-25-20(18)19)22-26-9-12-33-22/h2-9,12-13,15,27H,10-11,14H2,1H3/t15-/m1/s1
    MOLECULAR FORMULA
    C24H21N5O3S
    CROSS REFERENCES
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    canSAR1093206

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.14
    AlogP 3.24
    HBond donors 1
    HBond acceptors 8
    Atoms 54
    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 canSAR1093206.