canSAR1084612
FEATURES
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NAMES
    SMILES
    CCN(CC)C(=O)N[C@@]1([C@H](C)O)[C@@H](N)[C@H](Nc2cccc(C(C)=O)c2)[C@](O)(CO)[C@]1(C)O
    InChI
    InChI=1S/C22H36N4O6/c1-6-26(7-2)19(30)25-22(14(4)29)17(23)18(21(32,12-27)20(22,5)31)24-16-10-8-9-15(11-16)13(3)28/h8-11,14,17-18,24,27,29,31-32H,6-7,12,23H2,1-5H3,(H,25,30)/t14-,17-,18-,20-,21+,22-/m0/s1
    MOLECULAR FORMULA
    C22H36N4O6
    CROSS REFERENCES
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    canSAR1084612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight452.26
    AlogP-0.34
    HBond donors8
    HBond acceptors10
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084612.