canSAR2063676
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](N)C(=O)Nc1nc(N)ncc1Oc1cc(I)c(OC)cc1C(C)C
    InChI
    InChI=1S/C20H28IN5O3/c1-6-11(4)17(22)19(27)25-18-16(9-24-20(23)26-18)29-14-8-13(21)15(28-5)7-12(14)10(2)3/h7-11,17H,6,22H2,1-5H3,(H3,23,24,25,26,27)/t11-,17-/m1/s1
    MOLECULAR FORMULA
    C20H28IN5O3
    CROSS REFERENCES
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    canSAR2063676
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight513.12
    AlogP3.90
    HBond donors5
    HBond acceptors8
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063676.