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canSAR1130735
FEATURES
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NAMES
    SMILES
    CCN1CC(=O)S/C1=N\c1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)c(F)c1
    InChI
    InChI=1S/C27H27F2N5O4S/c1-3-31-14-18(26(37)38)25(36)17-12-20(29)23(13-22(17)31)34-9-7-33(8-10-34)21-6-5-16(11-19(21)28)30-27-32(4-2)15-24(35)39-27/h5-6,11-14H,3-4,7-10,15H2,1-2H3,(H,37,38)/b30-27-
    MOLECULAR FORMULA
    C27H27F2N5O4S
    CROSS REFERENCES
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    canSAR1130735

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.18
    AlogP 3.91
    HBond donors 1
    HBond acceptors 9
    Atoms 66
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1130735.