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canSAR1441830
FEATURES
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NAMES
    SMILES
    O=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCCO2
    InChI
    InChI=1S/C31H31N3O5/c35-30(33-24-7-2-1-3-8-24)29(22-10-12-26-21(18-22)6-4-14-32-26)34(20-25-9-5-15-37-25)31(36)23-11-13-27-28(19-23)39-17-16-38-27/h4-6,9-15,18-19,24,29H,1-3,7-8,16-17,20H2,(H,33,35)
    MOLECULAR FORMULA
    C31H31N3O5
    CROSS REFERENCES
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    canSAR1441830

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.23
    AlogP 5.43
    HBond donors 1
    HBond acceptors 8
    Atoms 70
    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 canSAR1441830.