canSAR2149032
FEATURES
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NAMES
    SMILES
    CCN(CC)CCCNCCC(=O)Nc1ccc(Nc2nc(-c3ccccc3NC(=O)CCNCCCN(CC)CC)nc3ccccc23)cc1
    InChI
    InChI=1S/C40H57N9O2/c1-5-48(6-2)29-13-25-41-27-23-37(50)43-31-19-21-32(22-20-31)44-39-34-16-10-12-18-36(34)46-40(47-39)33-15-9-11-17-35(33)45-38(51)24-28-42-26-14-30-49(7-3)8-4/h9-12,15-22,41-42H,5-8,13-14,23-30H2,1-4H3,(H,43,50)(H,45,51)(H,44,46,47)
    MOLECULAR FORMULA
    C40H57N9O2
    CROSS REFERENCES
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    canSAR2149032
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight695.46
    AlogP6.34
    HBond donors5
    HBond acceptors11
    Atoms108
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2149032.