canSAR82208
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C92H127N23O21/c1-4-6-26-65(105-55(3)116)81(124)109-69(32-36-78(119)120)85(128)111-71(46-56-20-10-8-11-21-56)87(130)107-67(30-18-38-100-91(93)94)83(126)113-73(48-58-51-102-63-28-16-14-24-61(58)63)80(123)99-41-43-136-45-44-135-42-40-98-76(117)34-35-77(118)106-66(27-7-5-2)82(125)110-70(33-37-79(121)122)86(129)114-74(50-60-53-97-54-104-60)89(132)112-72(47-57-22-12-9-13-23-57)88(131)108-68(31-19-39-101-92(95)96)84(127)115-75(90(133)134)49-59-52-103-64-29-17-15-25-62(59)64/h8-17,20-25,28-29,51-54,65-75,102-103H,4-7,18-19,26-27,30-50H2,1-3H3,(H,97,104)(H,98,117)(H,99,123)(H,105,116)(H,106,118)(H,107,130)(H,108,131)(H,109,124)(H,110,125)(H,111,128)(H,112,132)(H,113,126)(H,114,129)(H,115,127)(H,119,120)(H,121,122)(H,133,134)(H4,93,94,100)(H4,95,96,101)/t65-,66-,67-,68-,69-,70-,71+,72+,73-,74-,75-/m0/s1
    MOLECULAR FORMULA
    C92H127N23O21
    CROSS REFERENCES
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    canSAR82208
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1889.96
    AlogP-0.41
    HBond donors27
    HBond acceptors44
    Atoms263
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR82208.