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canSAR1149553
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NAMES
    SMILES
    CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccs1)CCC3
    InChI
    InChI=1S/C19H20N2O3S/c1-3-23-19(22)14-10(2)24-18-16(15(14)13-8-5-9-25-13)17(20)11-6-4-7-12(11)21-18/h5,8-9,15H,3-4,6-7H2,1-2H3,(H2,20,21)/t15-/m0/s1
    MOLECULAR FORMULA
    C19H20N2O3S
    CROSS REFERENCES
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    canSAR1149553

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.12
    AlogP 3.58
    HBond donors 2
    HBond acceptors 5
    Atoms 45
    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 canSAR1149553.