canSAR1646472
FEATURES
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NAMES
    SMILES
    CC1CCCC(C)N1C(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1
    InChI
    InChI=1S/C21H25N3O3S/c1-14-4-3-5-15(2)24(14)21(25)13-28-20-9-7-17(22-23-20)16-6-8-18-19(12-16)27-11-10-26-18/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3
    MOLECULAR FORMULA
    C21H25N3O3S
    CROSS REFERENCES
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    canSAR1646472
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight399.16
    AlogP3.80
    HBond donors0
    HBond acceptors6
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1646472.