canSAR2095760
FEATURES
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NAMES
    SMILES
    O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCNc1c2c(nc3ccccc13)CCCC2
    InChI
    InChI=1S/C27H27N3O3/c31-26(12-6-1-7-19-13-14-24-25(17-19)33-18-32-24)28-15-16-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h1-2,4,6-8,10,12-14,17H,3,5,9,11,15-16,18H2,(H,28,31)(H,29,30)/b7-1+,12-6+
    MOLECULAR FORMULA
    C27H27N3O3
    CROSS REFERENCES
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    canSAR2095760
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight441.21
    AlogP4.64
    HBond donors2
    HBond acceptors6
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095760.