canSAR383704
FEATURES
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NAMES
    SMILES
    CC(C)C(NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H](CCCCNC(=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)C(F)(F)F
    InChI
    InChI=1S/C51H65ClF3N5O9S/c1-29(2)42(44(63)51(53,54)55)58-47(66)40-28-33-13-9-10-15-39(33)60(40)48(67)38(14-11-12-24-56-41(61)27-30-25-36(49(3,4)5)43(62)37(26-30)50(6,7)8)57-45(64)31-16-18-32(19-17-31)46(65)59-70(68,69)35-22-20-34(52)21-23-35/h16-23,25-26,29,33,38-40,42,62H,9-15,24,27-28H2,1-8H3,(H,56,61)(H,57,64)(H,58,66)(H,59,65)/t33?,38-,39?,40+,42?/m1/s1
    MOLECULAR FORMULA
    C51H65ClF3N5O9S
    CROSS REFERENCES
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    canSAR383704
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1015.41
    AlogP7.82
    HBond donors5
    HBond acceptors14
    Atoms135
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR383704.