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canSAR1634236
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C16H21ClN6O6/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(29-15)6-28-23(26)27/h7-9,11-12,15,24-25H,1-6H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1
    MOLECULAR FORMULA
    C16H21ClN6O6
    CROSS REFERENCES
    1634236 logo

    canSAR1634236

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.12
    AlogP 1.05
    HBond donors 3
    HBond acceptors 12
    Atoms 50
    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 canSAR1634236.