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canSAR50219
FEATURES
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NAMES
    SMILES
    O=C(CN1CCC(O)CC1)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2
    InChI
    InChI=1S/C27H29N5O4/c33-19-8-10-31(11-9-19)16-22(34)28-21-3-1-2-20-23(21)27(35)24-25(29-30-26(20)24)17-4-6-18(7-5-17)32-12-14-36-15-13-32/h1-7,19,33H,8-16H2,(H,28,34)(H,29,30)
    MOLECULAR FORMULA
    C27H29N5O4
    CROSS REFERENCES
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    canSAR50219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.22
    AlogP 2.52
    HBond donors 3
    HBond acceptors 9
    Atoms 65
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR50219.