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canSAR1430846
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NAMES
    SMILES
    Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC3CCCO3)c12
    InChI
    InChI=1S/C25H30FN5O4S/c1-15-10-18(31-36(3,4)33)12-21-23(15)24(29-14-28-21)30-20-8-7-17(26)11-22(20)35-16(2)25(32)27-13-19-6-5-9-34-19/h7-8,10-12,14,16,19H,5-6,9,13H2,1-4H3,(H,27,32)(H,28,29,30)/t16-,19?/m1/s1
    MOLECULAR FORMULA
    C25H30FN5O4S
    CROSS REFERENCES
    1430846 logo

    canSAR1430846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.20
    AlogP 4.24
    HBond donors 2
    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 canSAR1430846.