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canSAR1129935
FEATURES
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NAMES
    SMILES
    NC(=O)c1ccc[n+](CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
    InChI
    InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1/t14-,15-,16-/m0/s1
    MOLECULAR FORMULA
    C21H29N6O5+
    CROSS REFERENCES
    1129935 logo

    canSAR1129935

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.22
    AlogP -1.91
    HBond donors 6
    HBond acceptors 11
    Atoms 61
    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 canSAR1129935.