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canSAR1087252
FEATURES
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NAMES
    SMILES
    NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21
    InChI
    InChI=1S/C29H28N3O10P/c30-27(35)23(13-26(33)34)31-28(36)24(12-16-9-10-25-17(11-16)14-41-43(38,39)42-25)32-29(37)40-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,22-24H,12-15H2,(H2,30,35)(H,31,36)(H,32,37)(H,33,34)(H,38,39)/t23-,24-/m0/s1
    MOLECULAR FORMULA
    C29H28N3O10P
    CROSS REFERENCES
    1087252 logo

    canSAR1087252

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.15
    AlogP 2.59
    HBond donors 6
    HBond acceptors 13
    Atoms 71
    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 canSAR1087252.