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canSAR1151455
FEATURES
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NAMES
    SMILES
    CC(Cn1cnc2c(Sc3ccc4c(c3)CCO4)nc(N)nc21)OCP(=O)(OCC(F)(F)F)OCC(F)(F)F
    InChI
    InChI=1S/C21H22F6N5O5PS/c1-12(35-11-38(33,36-8-20(22,23)24)37-9-21(25,26)27)7-32-10-29-16-17(32)30-19(28)31-18(16)39-14-2-3-15-13(6-14)4-5-34-15/h2-3,6,10,12H,4-5,7-9,11H2,1H3,(H2,28,30,31)
    MOLECULAR FORMULA
    C21H22F6N5O5PS
    CROSS REFERENCES
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    canSAR1151455

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 601.10
    AlogP 5.21
    HBond donors 2
    HBond acceptors 10
    Atoms 61
    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 canSAR1151455.