canSAR2079866
FEATURES
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NAMES
    SMILES
    COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CCNC(=N)N)cc1Br)=NO2
    InChI
    InChI=1S/C22H25Br4N5O5/c1-34-18-14(25)9-22(19(32)16(18)26)10-15(31-36-22)20(33)29-4-2-6-35-17-12(23)7-11(8-13(17)24)3-5-30-21(27)28/h7-9,19,32H,2-6,10H2,1H3,(H,29,33)(H4,27,28,30)/t19-,22+/m1/s1
    MOLECULAR FORMULA
    C22H25Br4N5O5
    CROSS REFERENCES
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    canSAR2079866
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight754.86
    AlogP3.54
    HBond donors6
    HBond acceptors10
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079866.