canSAR538160
FEATURES
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NAMES
    SMILES
    CCc1cc(-c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1.[Na+]
    InChI
    InChI=1S/C23H29N4O2.Na/c1-4-17-15-19(18-11-7-5-8-12-18)20(28)16-21(17)29-14-10-6-9-13-23(2,3)22-24-26-27-25-22;/h5,7-8,11-12,15-16H,4,6,9-10,13-14H2,1-3H3,(H-,24,25,26,27,28);/q-1;+1
    MOLECULAR FORMULA
    C23H29N4NaO2
    CROSS REFERENCES
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    canSAR538160
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight416.22
    AlogP1.68
    HBond donors1
    HBond acceptors6
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538160.