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canSAR1972398
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NAMES
    SMILES
    Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCCCO5)[nH]c4C)ccc3[nH]2)n1
    InChI
    InChI=1S/C22H24N6O3/c1-12-19(27-20(24-12)21(29)23-11-16-5-3-4-8-30-16)14-6-7-17-15(9-14)10-18(26-17)22-25-13(2)28-31-22/h6-7,9-10,16,26H,3-5,8,11H2,1-2H3,(H,23,29)(H,24,27)
    MOLECULAR FORMULA
    C22H24N6O3
    CROSS REFERENCES
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    canSAR1972398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.19
    AlogP 3.52
    HBond donors 3
    HBond acceptors 9
    Atoms 55
    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 canSAR1972398.