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canSAR2021023
FEATURES
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NAMES
    SMILES
    O=C(CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)NCCC1=CCCCC1
    InChI
    InChI=1S/C22H22ClN3O3/c23-16-8-9-19-18(13-16)26(22(28)17-7-4-11-25-21(17)29-19)14-20(27)24-12-10-15-5-2-1-3-6-15/h4-5,7-9,11,13H,1-3,6,10,12,14H2,(H,24,27)
    MOLECULAR FORMULA
    C22H22ClN3O3
    CROSS REFERENCES
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    canSAR2021023

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.13
    AlogP 4.49
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021023.