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canSAR1105444
FEATURES
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NAMES
    SMILES
    COc1cc(CCNC(=O)c2ccc3c(c2)nc(-c2cccc4ccccc24)n3CCc2ccc(OC)c(OC)c2)cc(OC)c1
    InChI
    InChI=1S/C38H37N3O5/c1-43-29-20-26(21-30(24-29)44-2)16-18-39-38(42)28-13-14-34-33(23-28)40-37(32-11-7-9-27-8-5-6-10-31(27)32)41(34)19-17-25-12-15-35(45-3)36(22-25)46-4/h5-15,20-24H,16-19H2,1-4H3,(H,39,42)
    MOLECULAR FORMULA
    C38H37N3O5
    CROSS REFERENCES
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    canSAR1105444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.27
    AlogP 7.11
    HBond donors 1
    HBond acceptors 8
    Atoms 83
    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 canSAR1105444.