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canSAR394449
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NAMES
    SMILES
    O=C(Nc1nc(Cl)nc2c1ncn2C1CCCO1)c1cccc(I)c1
    InChI
    InChI=1S/C16H13ClIN5O2/c17-16-21-13(20-15(24)9-3-1-4-10(18)7-9)12-14(22-16)23(8-19-12)11-5-2-6-25-11/h1,3-4,7-8,11H,2,5-6H2,(H,20,21,22,24)
    MOLECULAR FORMULA
    C16H13ClIN5O2
    CROSS REFERENCES
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    canSAR394449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.98
    AlogP 3.65
    HBond donors 1
    HBond acceptors 7
    Atoms 38
    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 canSAR394449.