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canSAR500378
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NAMES
    SMILES
    COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccccc4[N+](=O)[O-])C[C@@H](C/C=C/C(=O)c4ccccc4)O3)c(Cl)c2c1
    InChI
    InChI=1S/C32H28ClN5O5S/c1-20-30-31(33)24-17-22(42-2)15-16-25(24)34-32(30)37(35-20)29-19-36(44-28-14-7-6-12-26(28)38(40)41)18-23(43-29)11-8-13-27(39)21-9-4-3-5-10-21/h3-10,12-17,23,29H,11,18-19H2,1-2H3/b13-8+/t23-,29-/m1/s1
    MOLECULAR FORMULA
    C32H28ClN5O5S
    CROSS REFERENCES
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    canSAR500378

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 629.15
    AlogP 7.20
    HBond donors 0
    HBond acceptors 10
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR500378.