canSAR170987
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C86H139N29O22/c1-8-12-19-54(71(125)102-53(18-11-4)78(132)115-68(46(6)117)83(137)109-59(24-17-37-99-86(94)95)73(127)108-60(33-34-66(87)121)77(131)104-57(22-15-35-97-84(90)91)74(128)110-61(69(89)123)38-48-25-29-51(119)30-26-48)106-81(135)64(41-67(88)122)113-75(129)56(21-14-10-3)105-79(133)62(39-49-27-31-52(120)32-28-49)111-80(134)63(40-50-42-96-44-100-50)112-76(130)58(23-16-36-98-85(92)93)103-72(126)55(20-13-9-2)107-82(136)65(43-116)114-70(124)45(5)101-47(7)118/h25-32,42,44-46,53-65,68,116-117,119-120H,8-24,33-41,43H2,1-7H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,125)(H,103,126)(H,104,131)(H,105,133)(H,106,135)(H,107,136)(H,108,127)(H,109,137)(H,110,128)(H,111,134)(H,112,130)(H,113,129)(H,114,124)(H,115,132)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-/m0/s1
    MOLECULAR FORMULA
    C86H139N29O22
    CROSS REFERENCES
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    canSAR170987
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1930.06
    AlogP-8.31
    HBond donors38
    HBond acceptors51
    Atoms276
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR170987.