canSAR823755
FEATURES
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NAMES
    SMILES
    CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c1
    InChI
    InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26)/t14-,15+,16-,22-
    MOLECULAR FORMULA
    C22H31N5O
    CROSS REFERENCES
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    canSAR823755
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight381.25
    AlogP3.47
    HBond donors4
    HBond acceptors6
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823755.