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canSAR501952
FEATURES
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NAMES
    SMILES
    CCCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCCC)c1ccc(-c2nc(N)sc2SCCC)o1
    InChI
    InChI=1S/C22H35N4O6PS2/c1-6-11-30-19(27)14(4)25-33(29,26-15(5)20(28)31-12-7-2)17-10-9-16(32-17)18-21(34-13-8-3)35-22(23)24-18/h9-10,14-15H,6-8,11-13H2,1-5H3,(H2,23,24)(H2,25,26,29)/t14-,15-/m0/s1
    MOLECULAR FORMULA
    C22H35N4O6PS2
    CROSS REFERENCES
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    canSAR501952

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.17
    AlogP 4.17
    HBond donors 4
    HBond acceptors 10
    Atoms 70
    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 canSAR501952.