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canSAR2089001
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NAMES
    SMILES
    CN1C(=O)c2c(nn(Cc3ccc(C4CCCN4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
    InChI
    InChI=1S/C28H31N7O/c1-33-27(36)24-25(30-20-7-3-2-4-8-20)34(17-18-12-14-19(15-13-18)21-10-6-16-29-21)32-26(24)35-23-11-5-9-22(23)31-28(33)35/h2-4,7-8,12-15,21-23,29-30H,5-6,9-11,16-17H2,1H3/t21?,22-,23+/m1/s1
    MOLECULAR FORMULA
    C28H31N7O
    CROSS REFERENCES
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    canSAR2089001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.26
    AlogP 4.28
    HBond donors 2
    HBond acceptors 8
    Atoms 67
    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 canSAR2089001.