canSAR2100183
FEATURES
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NAMES
    SMILES
    CN1C(=O)[C@H]2CCC[C@H]2N(C2CCCC2)c2nc(Nc3ccc4ncccc4c3)ncc21
    InChI
    InChI=1S/C25H28N6O/c1-30-22-15-27-25(28-17-11-12-20-16(14-17)6-5-13-26-20)29-23(22)31(18-7-2-3-8-18)21-10-4-9-19(21)24(30)32/h5-6,11-15,18-19,21H,2-4,7-10H2,1H3,(H,27,28,29)/t19-,21+/m0/s1
    MOLECULAR FORMULA
    C25H28N6O
    CROSS REFERENCES
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    canSAR2100183
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight428.23
    AlogP4.66
    HBond donors1
    HBond acceptors7
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100183.