canSAR2064428
FEATURES
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NAMES
    SMILES
    N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3)Cc1ccccc1
    InChI
    InChI=1S/C26H29N5S/c27-20(16-18-8-4-3-5-9-18)17-29-25-23-21-10-6-1-2-7-11-22(21)32-26(23)31-24(30-25)19-12-14-28-15-13-19/h3-5,8-9,12-15,20H,1-2,6-7,10-11,16-17,27H2,(H,29,30,31)/t20-/m0/s1
    MOLECULAR FORMULA
    C26H29N5S
    CROSS REFERENCES
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    canSAR2064428
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight443.21
    AlogP5.39
    HBond donors3
    HBond acceptors5
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064428.