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canSAR782932
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OCCCn1c(-c3ccco3)nc3ccccc31)NC(=O)[C@@H]1CCCN1C2=O
    InChI
    InChI=1S/C27H26N4O5/c1-34-23-15-17-19(29-26(32)21-9-4-11-31(21)27(17)33)16-24(23)36-14-6-12-30-20-8-3-2-7-18(20)28-25(30)22-10-5-13-35-22/h2-3,5,7-8,10,13,15-16,21H,4,6,9,11-12,14H2,1H3,(H,29,32)/t21-/m0/s1
    MOLECULAR FORMULA
    C27H26N4O5
    CROSS REFERENCES
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    canSAR782932

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.19
    AlogP 4.33
    HBond donors 1
    HBond acceptors 9
    Atoms 62
    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 canSAR782932.