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canSAR1651492
FEATURES
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NAMES
    SMILES
    CC(C)[C@@]1(CC(C)(C)O)CCN([C@@H](C)c2ccc(-c3ccn(C4CC4)c(=O)c3)cc2)C(=O)O1
    InChI
    InChI=1S/C27H36N2O4/c1-18(2)27(17-26(4,5)32)13-15-28(25(31)33-27)19(3)20-6-8-21(9-7-20)22-12-14-29(23-10-11-23)24(30)16-22/h6-9,12,14,16,18-19,23,32H,10-11,13,15,17H2,1-5H3/t19-,27-/m0/s1
    MOLECULAR FORMULA
    C27H36N2O4
    CROSS REFERENCES
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    canSAR1651492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.27
    AlogP 5.31
    HBond donors 1
    HBond acceptors 6
    Atoms 69
    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 canSAR1651492.