canSAR386442
FEATURES
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NAMES
    SMILES
    CN(Cc1ccncc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1/C(S)=N/Cc1ccccc1Cl
    InChI
    InChI=1S/C29H32ClN5O2S/c1-34(20-22-13-15-31-16-14-22)28(37)25(18-21-8-3-2-4-9-21)33-27(36)26-12-7-17-35(26)29(38)32-19-23-10-5-6-11-24(23)30/h2-6,8-11,13-16,25-26H,7,12,17-20H2,1H3,(H,32,38)(H,33,36)/t25-,26-/m0/s1
    MOLECULAR FORMULA
    C29H32ClN5O2S
    CROSS REFERENCES
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    canSAR386442
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight549.20
    AlogP4.37
    HBond donors1
    HBond acceptors7
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR386442.