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canSAR1146442
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C85H112N30O11/c86-56(21-11-31-97-81(87)88)71(116)111-66(36-46-41-102-57-22-6-1-16-51(46)57)76(121)107-62(27-12-32-98-82(89)90)72(117)112-67(37-47-42-103-58-23-7-2-17-52(47)58)77(122)108-63(28-13-33-99-83(91)92)73(118)113-68(38-48-43-104-59-24-8-3-18-53(48)59)78(123)109-64(29-14-34-100-84(93)94)74(119)114-69(39-49-44-105-60-25-9-4-19-54(49)60)79(124)110-65(30-15-35-101-85(95)96)75(120)115-70(80(125)126)40-50-45-106-61-26-10-5-20-55(50)61/h1-10,16-20,22-26,41-45,56,62-70,102-106H,11-15,21,27-40,86H2,(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,116)(H,112,117)(H,113,118)(H,114,119)(H,115,120)(H,125,126)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
    MOLECULAR FORMULA
    C85H112N30O11
    CROSS REFERENCES
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    canSAR1146442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1728.91
    AlogP -0.30
    HBond donors 37
    HBond acceptors 41
    Atoms 238
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1146442.