canSAR2080625
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)C(C)C
    InChI
    InChI=1S/C48H68N8O9/c1-8-30(4)41(52-44(61)38-18-12-25-55(38)47(64)39-19-14-24-54(39)31(5)57)45(62)51-40(29(2)3)48(65)56-26-13-17-37(56)43(60)49-35(27-33-20-22-34(58)23-21-33)42(59)50-36(46(63)53(6)7)28-32-15-10-9-11-16-32/h9-11,15-16,20-23,29-30,35-41,58H,8,12-14,17-19,24-28H2,1-7H3,(H,49,60)(H,50,59)(H,51,62)(H,52,61)/t30-,35-,36-,37-,38-,39-,40-,41-/m0/s1
    MOLECULAR FORMULA
    C48H68N8O9
    CROSS REFERENCES
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    canSAR2080625
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight900.51
    AlogP1.90
    HBond donors5
    HBond acceptors17
    Atoms133
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080625.