canSAR1119019
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C)c2)s1
    InChI
    InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
    MOLECULAR FORMULA
    C20H27N5O2S
    CROSS REFERENCES
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    canSAR1119019
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight401.19
    AlogP3.55
    HBond donors2
    HBond acceptors7
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1119019.