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canSAR1971717
FEATURES
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NAMES
    SMILES
    COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1
    InChI
    InChI=1S/C31H33N3O3/c1-37-29-12-6-5-11-26(29)32-31(36)33-19-7-8-20-34-27(21-33)30(28(34)22-35)25-17-15-24(16-18-25)14-13-23-9-3-2-4-10-23/h2-6,9-12,15-18,27-28,30,35H,7-8,19-22H2,1H3,(H,32,36)/t27-,28+,30+/m0/s1
    MOLECULAR FORMULA
    C31H33N3O3
    CROSS REFERENCES
    1971717 logo

    canSAR1971717

    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 canSAR1971717.