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canSAR1832445
FEATURES
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NAMES
    SMILES
    C[C@@]12C(=O)NCC(=O)N1[C@@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1
    InChI
    InChI=1S/C21H19BrN2O3/c1-21-18(12-5-3-2-4-6-12)15-11-27-16-8-7-13(22)9-14(16)19(15)24(21)17(25)10-23-20(21)26/h2-9,15,18-19H,10-11H2,1H3,(H,23,26)/t15-,18+,19-,21-/m1/s1
    MOLECULAR FORMULA
    C21H19BrN2O3
    CROSS REFERENCES
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    canSAR1832445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.06
    AlogP 3.01
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1832445.