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canSAR1835040
FEATURES
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NAMES
    SMILES
    Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NC(C)C(F)F)c12
    InChI
    InChI=1S/C24H26ClF2N5O3S/c1-13-9-17(32-36(34)7-4-8-36)11-19-21(13)23(29-12-28-19)31-18-6-5-16(25)10-20(18)35-15(3)24(33)30-14(2)22(26)27/h5-6,9-12,14-15,22H,4,7-8H2,1-3H3,(H,30,33)(H,28,29,31)/t14?,15-/m1/s1
    MOLECULAR FORMULA
    C24H26ClF2N5O3S
    CROSS REFERENCES
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    canSAR1835040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.14
    AlogP 5.38
    HBond donors 2
    HBond acceptors 8
    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 canSAR1835040.