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canSAR1617131
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NAMES
    SMILES
    O=C1Nc2nc(N[C@H]3CC[C@H](O)CC3)ncc2CN1c1ccccc1Cl
    InChI
    InChI=1S/C18H20ClN5O2/c19-14-3-1-2-4-15(14)24-10-11-9-20-17(22-16(11)23-18(24)26)21-12-5-7-13(25)8-6-12/h1-4,9,12-13,25H,5-8,10H2,(H2,20,21,22,23,26)
    MOLECULAR FORMULA
    C18H20ClN5O2
    CROSS REFERENCES
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    canSAR1617131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 373.13
    AlogP 3.40
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    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 canSAR1617131.