canSAR2059350
FEATURES
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NAMES
    SMILES
    CN1CCN(C(=O)N[C@@H](CCCONC(=N)N)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1.Cl.Cl
    InChI
    InChI=1S/C29H41N7O5S.2ClH/c1-35-17-19-36(20-18-35)29(38)33-26(13-8-21-41-34-28(30)31)27(37)32-24(15-14-23-9-4-2-5-10-23)16-22-42(39,40)25-11-6-3-7-12-25;;/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,32,37)(H,33,38)(H4,30,31,34);2*1H/b22-16+;;/t24-,26-;;/m0../s1
    MOLECULAR FORMULA
    C29H43Cl2N7O5S
    CROSS REFERENCES
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    canSAR2059350
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight671.24
    AlogP2.46
    HBond donors6
    HBond acceptors12
    Atoms87
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059350.