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canSAR832987
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NAMES
    SMILES
    CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
    InChI
    InChI=1S/C22H21Cl2N5O2/c1-12-10-18(31-27-12)17-4-3-9-28(17)22(30)20-13(2)26-19-7-8-25-29(19)21(20)14-5-6-15(23)16(24)11-14/h5-8,10-11,17,21,26H,3-4,9H2,1-2H3/t17-,21?/m0/s1
    MOLECULAR FORMULA
    C22H21Cl2N5O2
    CROSS REFERENCES
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    canSAR832987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.11
    AlogP 5.14
    HBond donors 1
    HBond acceptors 7
    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 canSAR832987.