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canSAR545226
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NCc1c(O)ccc2ccccc12)C(C)C)C(=O)O.Cl
    InChI
    InChI=1S/C30H37N3O5S.ClH/c1-19(2)27(31-18-23-22-12-8-7-11-21(22)13-14-26(23)34)29(36)33-25(17-20-9-5-4-6-10-20)28(35)32-24(30(37)38)15-16-39-3;/h4-14,19,24-25,27,31,34H,15-18H2,1-3H3,(H,32,35)(H,33,36)(H,37,38);1H/t24-,25-,27-;/m0./s1
    MOLECULAR FORMULA
    C30H38ClN3O5S
    CROSS REFERENCES
    545226 logo

    canSAR545226

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.22
    AlogP 4.13
    HBond donors 5
    HBond acceptors 8
    Atoms 78
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545226.