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canSAR1147096
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NAMES
    SMILES
    OC[C@@H]1C[C@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
    InChI
    InChI=1S/C27H29N3O2S/c31-17-24-16-25(32)12-14-30(24)13-11-19-5-9-23(10-6-19)28-27-29-26(18-33-27)22-8-7-20-3-1-2-4-21(20)15-22/h1-10,15,18,24-25,31-32H,11-14,16-17H2,(H,28,29)/t24-,25+/m0/s1
    MOLECULAR FORMULA
    C27H29N3O2S
    CROSS REFERENCES
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    canSAR1147096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.20
    AlogP 5.07
    HBond donors 3
    HBond acceptors 5
    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 canSAR1147096.