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canSAR1092920
FEATURES
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NAMES
    SMILES
    C=C1[C@H](COP(=O)(N[C@@H](C)C(=O)OC)Oc2ccccc2)[C@@H](O)[C@@H](F)[C@@H]1n1cnc2c(N)ncnc21
    InChI
    InChI=1S/C22H26FN6O6P/c1-12-15(19(30)16(23)18(12)29-11-27-17-20(24)25-10-26-21(17)29)9-34-36(32,28-13(2)22(31)33-3)35-14-7-5-4-6-8-14/h4-8,10-11,13,15-16,18-19,30H,1,9H2,2-3H3,(H,28,32)(H2,24,25,26)/t13-,15-,16-,18+,19+,36?/m0/s1
    MOLECULAR FORMULA
    C22H26FN6O6P
    CROSS REFERENCES
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    canSAR1092920

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.16
    AlogP 2.19
    HBond donors 4
    HBond acceptors 12
    Atoms 62
    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 canSAR1092920.