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canSAR1429589
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#Cc4ccccc4)cc2)[C@@H]3CO)cc1
    InChI
    InChI=1S/C31H33N3O3/c1-37-27-17-15-26(16-18-27)32-31(36)33-19-5-6-20-34-28(21-33)30(29(34)22-35)25-13-11-24(12-14-25)10-9-23-7-3-2-4-8-23/h2-4,7-8,11-18,28-30,35H,5-6,19-22H2,1H3,(H,32,36)/t28-,29+,30-/m1/s1
    MOLECULAR FORMULA
    C31H33N3O3
    CROSS REFERENCES
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    canSAR1429589

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.25
    AlogP 4.55
    HBond donors 2
    HBond acceptors 6
    Atoms 70
    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 canSAR1429589.