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canSAR1768745
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/N=C(N)N)CC[C@]12O
    InChI
    InChI=1S/C21H36N4O2/c1-19-8-6-15(26)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-24-25-18(22)23/h12-17,26-27H,3-11H2,1-2H3,(H4,22,23,25)/b24-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1
    MOLECULAR FORMULA
    C21H36N4O2
    CROSS REFERENCES
    1768745 logo

    canSAR1768745

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.28
    AlogP 2.38
    HBond donors 6
    HBond acceptors 6
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768745.