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canSAR1619210
FEATURES
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NAMES
    SMILES
    C[C@@H](C(=O)NCc1ccccn1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
    InChI
    InChI=1S/C28H31N3O3/c1-20(26(32)30-18-23-15-9-10-16-29-23)24-17-28(24,2)25(22-13-7-4-8-14-22)31-27(33)34-19-21-11-5-3-6-12-21/h3-16,20,24-25H,17-19H2,1-2H3,(H,30,32)(H,31,33)/t20-,24+,25+,28-/m1/s1
    MOLECULAR FORMULA
    C28H31N3O3
    CROSS REFERENCES
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    canSAR1619210

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.24
    AlogP 5.03
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR1619210.