canSAR86194
FEATURES
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NAMES
    SMILES
    CCCOCCn1c(=O)c(N[C@H](CC)CO)nc2cnc(-c3ccc(OC)nc3)cc21
    InChI
    InChI=1S/C22H29N5O4/c1-4-9-31-10-8-27-19-11-17(15-6-7-20(30-3)24-12-15)23-13-18(19)26-21(22(27)29)25-16(5-2)14-28/h6-7,11-13,16,28H,4-5,8-10,14H2,1-3H3,(H,25,26)/t16-/m1/s1
    MOLECULAR FORMULA
    C22H29N5O4
    CROSS REFERENCES
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    canSAR86194
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight427.22
    AlogP2.47
    HBond donors2
    HBond acceptors9
    Atoms60
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR86194.