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canSAR915684
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NAMES
    SMILES
    O=C1/C(=N\NC(=S)NO)c2cc(Cl)ccc2N1CN1CCN(c2ccccc2)CC1
    InChI
    InChI=1S/C20H21ClN6O2S/c21-14-6-7-17-16(12-14)18(22-23-20(30)24-29)19(28)27(17)13-25-8-10-26(11-9-25)15-4-2-1-3-5-15/h1-7,12,29H,8-11,13H2,(H2,23,24,30)/b22-18-
    MOLECULAR FORMULA
    C20H21ClN6O2S
    CROSS REFERENCES
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    canSAR915684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.11
    AlogP 2.02
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR915684.