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canSAR2050207
FEATURES
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NAMES
    SMILES
    NC(=O)C1CCCN(c2nc(N3C4CCC3CC(CO)C4)nc3scc(-c4ccccc4Cl)c23)C1
    InChI
    InChI=1S/C26H30ClN5O2S/c27-21-6-2-1-5-19(21)20-14-35-25-22(20)24(31-9-3-4-16(12-31)23(28)34)29-26(30-25)32-17-7-8-18(32)11-15(10-17)13-33/h1-2,5-6,14-18,33H,3-4,7-13H2,(H2,28,34)
    MOLECULAR FORMULA
    C26H30ClN5O2S
    CROSS REFERENCES
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    canSAR2050207

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.18
    AlogP 4.45
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    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 canSAR2050207.