1524301 logo
canSAR1524301
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C3)c1
    InChI
    InChI=1S/C23H22N6O8/c1-2-20(30)25-15-5-3-4-13(6-15)18-10-23(37-26-18)11-19(21(24)31)27(12-23)22(32)14-7-16(28(33)34)9-17(8-14)29(35)36/h3-9,19H,2,10-12H2,1H3,(H2,24,31)(H,25,30)/t19-,23?/m0/s1
    MOLECULAR FORMULA
    C23H22N6O8
    CROSS REFERENCES
    1524301 logo

    canSAR1524301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.15
    AlogP 2.11
    HBond donors 3
    HBond acceptors 14
    Atoms 59
    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 canSAR1524301.