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canSAR1116503
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NAMES
    SMILES
    Cc1ncnc(Oc2ccc(OCc3ccccn3)c(Cl)c2)c1C#Cc1ccc(CNCCS(C)(=O)=O)o1
    InChI
    InChI=1S/C27H25ClN4O5S/c1-19-24(10-8-21-6-7-23(36-21)16-29-13-14-38(2,33)34)27(32-18-31-19)37-22-9-11-26(25(28)15-22)35-17-20-5-3-4-12-30-20/h3-7,9,11-12,15,18,29H,13-14,16-17H2,1-2H3
    MOLECULAR FORMULA
    C27H25ClN4O5S
    CROSS REFERENCES
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    canSAR1116503

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.12
    AlogP 4.33
    HBond donors 1
    HBond acceptors 9
    Atoms 63
    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 canSAR1116503.