canSAR108971
FEATURES
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NAMES
    SMILES
    CCC(OCCc1c2c3c(c(OCc4ccc(-c5ccccc5)cn4)ccc3n1Cc1ccc(Cl)cc1)CC(C)S2)C(=O)NS(C)(=O)=O
    InChI
    InChI=1S/C37H38ClN3O5S2/c1-4-33(37(42)40-48(3,43)44)45-19-18-32-36-35-30(20-24(2)47-36)34(17-16-31(35)41(32)22-25-10-13-28(38)14-11-25)46-23-29-15-12-27(21-39-29)26-8-6-5-7-9-26/h5-17,21,24,33H,4,18-20,22-23H2,1-3H3,(H,40,42)
    MOLECULAR FORMULA
    C37H38ClN3O5S2
    CROSS REFERENCES
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    canSAR108971
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight703.19
    AlogP7.43
    HBond donors1
    HBond acceptors8
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR108971.