canSAR541547
FEATURES
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NAMES
    SMILES
    Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(I)cc3)O2)cc1
    InChI
    InChI=1S/C22H22ClIN2O3/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)28-14-21(29-22)13-27-20-7-5-19(24)6-8-20/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/s1
    MOLECULAR FORMULA
    C22H22ClIN2O3
    CROSS REFERENCES
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    canSAR541547
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight524.04
    AlogP4.96
    HBond donors0
    HBond acceptors5
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR541547.