canSAR1417179
FEATURES
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NAMES
    SMILES
    CCN=C(S)N(C)CCc1cc2c(c(OC)c1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2
    InChI
    InChI=1S/C21H26N4O6S/c1-6-22-20(32)23(2)8-7-12-9-15-17(31-11-30-15)16(29-5)13(12)10-14-18(26)24(3)21(28)25(4)19(14)27/h9-10H,6-8,11H2,1-5H3,(H,22,32)
    MOLECULAR FORMULA
    C21H26N4O6S
    CROSS REFERENCES
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    canSAR1417179
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.16
    AlogP1.64
    HBond donors0
    HBond acceptors10
    Atoms58
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417179.