canSAR424526
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCC(N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O
    InChI
    InChI=1S/C96H166N24O21/c1-16-19-20-21-22-23-24-25-26-27-34-62(98)82(127)113-69(46-52(4)5)89(134)111-68(40-43-75(101)124)87(132)115-71(48-54(8)9)91(136)120-80(59(15)121)94(139)118-77(55(10)11)92(137)116-72(49-60-50-105-63-35-29-28-33-61(60)63)83(128)106-51-76(125)117-78(56(12)17-2)93(138)112-64(36-30-31-44-97)85(130)109-67(39-42-74(100)123)86(131)114-70(47-53(6)7)90(135)110-66(38-41-73(99)122)84(129)107-58(14)81(126)108-65(37-32-45-104-96(102)103)88(133)119-79(95(140)141)57(13)18-3/h28-29,33,35,50,52-59,62,64-72,77-80,105,121H,16-27,30-32,34,36-49,51,97-98H2,1-15H3,(H2,99,122)(H2,100,123)(H2,101,124)(H,106,128)(H,107,129)(H,108,126)(H,109,130)(H,110,135)(H,111,134)(H,112,138)(H,113,127)(H,114,131)(H,115,132)(H,116,137)(H,117,125)(H,118,139)(H,119,133)(H,120,136)(H,140,141)(H4,102,103,104)/t56-,57-,58-,59+,62?,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-/m0/s1
    MOLECULAR FORMULA
    C96H166N24O21
    CROSS REFERENCES
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    canSAR424526
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1991.27
    AlogP-0.40
    HBond donors32
    HBond acceptors45
    Atoms307
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR424526.