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canSAR783487
FEATURES
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NAMES
    SMILES
    CCCCc1ccc(N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)cc1
    InChI
    InChI=1S/C31H29N3O4/c1-2-3-6-19-9-12-21(13-10-19)33-17-28(35)34-25(31(33)36)16-23-22-7-4-5-8-24(22)32-29(23)30(34)20-11-14-26-27(15-20)38-18-37-26/h4-5,7-15,25,30,32H,2-3,6,16-18H2,1H3/t25-,30-/m1/s1
    MOLECULAR FORMULA
    C31H29N3O4
    CROSS REFERENCES
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    canSAR783487

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.22
    AlogP 5.13
    HBond donors 1
    HBond acceptors 7
    Atoms 67
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR783487.