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canSAR2085445
FEATURES
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NAMES
    SMILES
    CC(C)CCNC(=O)[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C25H31NO6/c1-16(2)7-8-26-25(28)20(10-18-4-6-22-24(12-18)32-15-30-22)19(13-27)9-17-3-5-21-23(11-17)31-14-29-21/h3-6,11-12,16,19-20,27H,7-10,13-15H2,1-2H3,(H,26,28)/t19-,20+/m1/s1
    MOLECULAR FORMULA
    C25H31NO6
    CROSS REFERENCES
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    canSAR2085445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.22
    AlogP 3.32
    HBond donors 2
    HBond acceptors 7
    Atoms 63
    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 canSAR2085445.