canSAR1387432
FEATURES
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NAMES
    SMILES
    Br.CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2
    InChI
    InChI=1S/C22H27N3OS.BrH/c1-23-21-24-18-11-22-6-7-25(12-13-2-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22;/h4-5,9,13,17,19,26H,2-3,6-8,10-12H2,1H3,(H,23,24);1H/t17-,19+,22+;/m0./s1
    MOLECULAR FORMULA
    C22H28BrN3OS
    CROSS REFERENCES
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    canSAR1387432
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight461.11
    AlogP4.16
    HBond donors2
    HBond acceptors4
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387432.