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canSAR643387
FEATURES
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NAMES
    SMILES
    Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12.Cl
    InChI
    InChI=1S/C17H17N7O5.ClH/c1-11-2-3-13(23(26)27)15-12(4-5-20-16(11)15)18-6-7-19-14(25)10-22-9-8-21-17(22)24(28)29;/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)(H,19,25);1H
    MOLECULAR FORMULA
    C17H18ClN7O5
    CROSS REFERENCES
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    canSAR643387

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.11
    AlogP 2.21
    HBond donors 2
    HBond acceptors 12
    Atoms 48
    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 canSAR643387.