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canSAR1690331
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NAMES
    SMILES
    O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1ccco1
    InChI
    InChI=1S/C20H19N3O3S/c24-18(15-7-4-10-26-15)23-20-17(14-6-1-2-8-16(14)27-20)19(25)22-12-13-5-3-9-21-11-13/h3-5,7,9-11H,1-2,6,8,12H2,(H,22,25)(H,23,24)
    MOLECULAR FORMULA
    C20H19N3O3S
    CROSS REFERENCES
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    canSAR1690331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.11
    AlogP 3.80
    HBond donors 2
    HBond acceptors 6
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690331.