canSAR2102597
FEATURES
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NAMES
    SMILES
    CC(N=c1[nH][nH]c2cc(NC(O)=N[C@@H](C)c3ccccc3)ncc12)C1CCOCC1
    InChI
    InChI=1S/C22H28N6O2/c1-14(17-8-10-30-11-9-17)24-21-18-13-23-20(12-19(18)27-28-21)26-22(29)25-15(2)16-6-4-3-5-7-16/h3-7,12-15,17H,8-11H2,1-2H3,(H2,24,27,28)(H2,23,25,26,29)/t14?,15-/m0/s1
    MOLECULAR FORMULA
    C22H28N6O2
    CROSS REFERENCES
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    canSAR2102597
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight408.23
    AlogP3.69
    HBond donors4
    HBond acceptors8
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2102597.