canSAR541622
FEATURES
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NAMES
    SMILES
    CCCCN(CC(=O)OCC)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1.Cl
    InChI
    InChI=1S/C29H42N6O6S.ClH/c1-3-5-14-34(20-27(37)41-4-2)28(38)25(17-26(36)32-18-21-9-8-15-35(19-21)29(30)31)33-42(39,40)24-13-12-22-10-6-7-11-23(22)16-24;/h6-7,10-13,16,21,25,33H,3-5,8-9,14-15,17-20H2,1-2H3,(H3,30,31)(H,32,36);1H/t21-,25-;/m0./s1
    MOLECULAR FORMULA
    C29H43ClN6O6S
    CROSS REFERENCES
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    canSAR541622
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight638.27
    AlogP2.21
    HBond donors5
    HBond acceptors12
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR541622.