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canSAR2090609
FEATURES
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NAMES
    SMILES
    NCc1ccc(CNC(=O)[C@H]2[C@H](C(=O)Nc3ncc(Br)s3)[C@@H]3C=C[C@H]2C32CC2)cc1
    InChI
    InChI=1S/C22H23BrN4O2S/c23-16-11-26-21(30-16)27-20(29)18-15-6-5-14(22(15)7-8-22)17(18)19(28)25-10-13-3-1-12(9-24)2-4-13/h1-6,11,14-15,17-18H,7-10,24H2,(H,25,28)(H,26,27,29)/t14-,15+,17-,18-/m1/s1
    MOLECULAR FORMULA
    C22H23BrN4O2S
    CROSS REFERENCES
    2090609 logo

    canSAR2090609

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.07
    AlogP 3.45
    HBond donors 4
    HBond acceptors 6
    Atoms 53
    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 canSAR2090609.