canSAR82271
FEATURES
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NAMES
    SMILES
    CSCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
    InChI
    InChI=1S/C38H46ClN9O5S/c1-54-22-33(49)45-31(19-24-13-15-26(39)16-14-24)36(52)48-32(18-23-8-3-2-4-9-23)37(53)46-29(12-7-17-43-38(41)42)35(51)47-30(34(40)50)20-25-21-44-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,44H,7,12,17-20,22H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,51)(H,48,52)(H4,41,42,43)/t29-,30-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C38H46ClN9O5S
    CROSS REFERENCES
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    canSAR82271
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight775.30
    AlogP1.69
    HBond donors11
    HBond acceptors14
    Atoms100
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR82271.