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canSAR1637531
FEATURES
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NAMES
    SMILES
    O=C(c1nn([C@H]2CCCN(CC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1
    InChI
    InChI=1S/C26H34N4O5S/c31-26(29-10-14-35-15-11-29)24-22-18-36(32,33)23-6-2-1-5-21(23)25(22)30(27-24)20-4-3-9-28(17-20)16-19-7-12-34-13-8-19/h1-2,5-6,19-20H,3-4,7-18H2/t20-/m0/s1
    MOLECULAR FORMULA
    C26H34N4O5S
    CROSS REFERENCES
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    canSAR1637531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.22
    AlogP 2.37
    HBond donors 0
    HBond acceptors 9
    Atoms 70
    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 canSAR1637531.