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canSAR344469
FEATURES
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NAMES
    SMILES
    CC(C)(C)[C@H](NC(=O)OCCOP(=O)(O)O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1
    InChI
    InChI=1S/C25H29F2N2O7P/c1-25(2,3)22(28-24(31)35-11-12-36-37(32,33)34)23(30)29-15-17(19-14-18(26)9-10-20(19)27)13-21(29)16-7-5-4-6-8-16/h4-10,13-14,21-22H,11-12,15H2,1-3H3,(H,28,31)(H2,32,33,34)/t21-,22+/m0/s1
    MOLECULAR FORMULA
    C25H29F2N2O7P
    CROSS REFERENCES
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    canSAR344469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.17
    AlogP 4.18
    HBond donors 3
    HBond acceptors 9
    Atoms 66
    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 canSAR344469.