canSAR2100458
FEATURES
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NAMES
    SMILES
    CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)N3CCN(CCO)CC3)cccc2N(Cc2ccc(Br)c3ccccc23)C1=O
    InChI
    InChI=1S/C31H36BrN5O5/c1-20(33-2)29(39)34-26-19-42-28-24(30(40)36-14-12-35(13-15-36)16-17-38)8-5-9-27(28)37(31(26)41)18-21-10-11-25(32)23-7-4-3-6-22(21)23/h3-11,20,26,33,38H,12-19H2,1-2H3,(H,34,39)/t20-,26-/m0/s1
    MOLECULAR FORMULA
    C31H36BrN5O5
    CROSS REFERENCES
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    canSAR2100458
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight637.19
    AlogP2.37
    HBond donors3
    HBond acceptors10
    Atoms78
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100458.