canSAR2100523
FEATURES
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NAMES
    SMILES
    N#CC1(N=C(O)[C@H]2C[C@H](Sc3cccc(-c4ccc(F)cc4)c3)CN2C(=O)C2(c3ncc(Cl)cc3F)CC2)CC1
    InChI
    InChI=1S/C30H25ClF2N4O2S/c31-20-13-24(33)26(35-15-20)30(10-11-30)28(39)37-16-23(14-25(37)27(38)36-29(17-34)8-9-29)40-22-3-1-2-19(12-22)18-4-6-21(32)7-5-18/h1-7,12-13,15,23,25H,8-11,14,16H2,(H,36,38)/t23-,25+/m0/s1
    MOLECULAR FORMULA
    C30H25ClF2N4O2S
    CROSS REFERENCES
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    canSAR2100523
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight578.14
    AlogP6.49
    HBond donors1
    HBond acceptors6
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100523.