canSAR53841
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccncc1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccncc4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1
    InChI
    InChI=1S/C45H42N6O5/c52-41-39(27-31-9-3-1-4-10-31)50(29-33-13-7-15-35(25-33)43(54)48-37-17-21-46-22-18-37)45(56)51(40(42(41)53)28-32-11-5-2-6-12-32)30-34-14-8-16-36(26-34)44(55)49-38-19-23-47-24-20-38/h1-26,39-42,52-53H,27-30H2,(H,46,48,54)(H,47,49,55)/t39-,40-,41+,42+/m1/s1
    MOLECULAR FORMULA
    C45H42N6O5
    CROSS REFERENCES
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    canSAR53841
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight746.32
    AlogP6.36
    HBond donors4
    HBond acceptors11
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR53841.