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canSAR1525097
FEATURES
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NAMES
    SMILES
    Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3cc4ccccc4oc3=O)CC2c2ccc(N(C)C)cc2)cc1
    InChI
    InChI=1S/C34H31N5O5S/c1-22-8-4-6-10-29(22)35-34(41)37-45(42,43)27-18-16-26(17-19-27)39-31(23-12-14-25(15-13-23)38(2)3)21-30(36-39)28-20-24-9-5-7-11-32(24)44-33(28)40/h4-20,31H,21H2,1-3H3,(H2,35,37,41)
    MOLECULAR FORMULA
    C34H31N5O5S
    CROSS REFERENCES
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    canSAR1525097

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.20
    AlogP 6.03
    HBond donors 2
    HBond acceptors 10
    Atoms 76
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1525097.