canSAR2167443
FEATURES
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NAMES
    SMILES
    O=C(NCCOc1ccccc1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
    InChI
    InChI=1S/C29H25N5O2/c35-29(31-18-19-36-23-9-2-1-3-10-23)25-11-4-5-12-26(25)32-22-13-15-24-27(33-34-28(24)20-22)16-14-21-8-6-7-17-30-21/h1-17,20,32H,18-19H2,(H,31,35)(H,33,34)/b16-14+
    MOLECULAR FORMULA
    C29H25N5O2
    CROSS REFERENCES
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    canSAR2167443
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight475.20
    AlogP5.68
    HBond donors3
    HBond acceptors7
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2167443.