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canSAR1592556
FEATURES
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NAMES
    SMILES
    CCN1C(=O)[C@H]2CC[C@H]3/C(=N\OC[C@@H](C)[C@H](OCc4ccccc4)C(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O
    InChI
    InChI=1S/C28H40N2O6/c1-5-30-27(33)20-12-11-19-21(13-22(31)25(32)23(19)24(20)28(30)34)29-36-14-17(4)26(16(2)3)35-15-18-9-7-6-8-10-18/h6-10,16-17,19-20,22-26,31-32H,5,11-15H2,1-4H3/b29-21-/t17-,19+,20+,22-,23+,24-,25-,26-/m1/s1
    MOLECULAR FORMULA
    C28H40N2O6
    CROSS REFERENCES
    1592556 logo

    canSAR1592556

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.29
    AlogP 3.01
    HBond donors 2
    HBond acceptors 8
    Atoms 76
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1592556.