canSAR1530439
FEATURES
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NAMES
    SMILES
    Cc1ccc(-c2ccc(CN3C(C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1
    InChI
    InChI=1S/C29H37N5O5S/c1-21(2)28-29(35)32(19-26-20-33(31-30-26)13-12-27-38-15-16-39-27)14-17-40(36,37)34(28)18-23-6-10-25(11-7-23)24-8-4-22(3)5-9-24/h4-11,20-21,27-28H,12-19H2,1-3H3
    MOLECULAR FORMULA
    C29H37N5O5S
    CROSS REFERENCES
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    canSAR1530439
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight567.25
    AlogP3.22
    HBond donors0
    HBond acceptors10
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1530439.