canSAR1632195
FEATURES
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NAMES
    SMILES
    N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1
    InChI
    InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1
    MOLECULAR FORMULA
    C33H43N7O4S
    CROSS REFERENCES
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    canSAR1632195
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight633.31
    AlogP2.37
    HBond donors7
    HBond acceptors11
    Atoms88
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632195.