canSAR1010642
FEATURES
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NAMES
    SMILES
    CCN(CC)CCNC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C)cc1
    InChI
    InChI=1S/C31H44N4O5S/c1-6-35(7-2)19-18-32-29(36)25-13-15-26(16-14-25)30(37)34-28(22-24-11-9-8-10-12-24)31(38)33-27(21-23(3)4)17-20-41(5,39)40/h8-17,20,23,27-28H,6-7,18-19,21-22H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/b20-17+/t27-,28+/m1/s1
    MOLECULAR FORMULA
    C31H44N4O5S
    CROSS REFERENCES
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    canSAR1010642
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight584.30
    AlogP3.19
    HBond donors3
    HBond acceptors9
    Atoms85
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1010642.