canSAR2060166
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C52H66N10O13S3/c1-31(2)45(52(72)73)59-50(70)43-30-77-76-29-42(57-46(66)38(54)27-44(64)65)49(69)56-41(25-32-11-5-3-6-12-32)51(71)60-62(28-34-16-20-36(21-17-34)35-13-7-4-8-14-35)78(74,75)61-39(15-9-10-24-53)47(67)55-40(48(68)58-43)26-33-18-22-37(63)23-19-33/h3-8,11-14,16-23,31,38-43,45,61,63H,9-10,15,24-30,53-54H2,1-2H3,(H,55,67)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,71)(H,64,65)(H,72,73)/t38-,39-,40-,41-,42-,43-,45-/m0/s1
    MOLECULAR FORMULA
    C52H66N10O13S3
    CROSS REFERENCES
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    canSAR2060166
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1134.40
    AlogP1.07
    HBond donors14
    HBond acceptors23
    Atoms144
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2060166.