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canSAR1965528
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NAMES
    SMILES
    CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCSCC4)n3)C2)cc1
    InChI
    InChI=1S/C22H29N5O2S/c1-16(24-17(2)28)18-3-5-19(6-4-18)29-20-8-10-27(15-20)21-7-9-23-22(25-21)26-11-13-30-14-12-26/h3-7,9,16,20H,8,10-15H2,1-2H3,(H,24,28)/t16-,20+/m0/s1
    MOLECULAR FORMULA
    C22H29N5O2S
    CROSS REFERENCES
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    canSAR1965528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.20
    AlogP 2.88
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR1965528.