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canSAR344782
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NAMES
    SMILES
    O=C(C[C@H]1CCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C21H22N6O3/c28-20(24-12-15-3-4-17-18(10-15)30-14-29-17)11-16-2-1-8-27(16)19-5-6-23-21(25-19)26-9-7-22-13-26/h3-7,9-10,13,16H,1-2,8,11-12,14H2,(H,24,28)/t16-/m1/s1
    MOLECULAR FORMULA
    C21H22N6O3
    CROSS REFERENCES
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    canSAR344782

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.18
    AlogP 2.07
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    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 canSAR344782.