canSAR821941
FEATURES
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NAMES
    SMILES
    NCCCCC(CN(C(=O)NCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)N(CC(CCC(=O)O)NC=O)C(=O)NCCCC1(CCCNC(=O)N(CC(CCC(=O)O)NC(=O)[C@@H]2CCCN2)C(CCCCN)CN(C(=O)NCCc2ccc(Br)cc2)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc2ccc(Br)cc2)CCCCC1
    InChI
    InChI=1S/C96H145Br4N19O18/c97-72-26-18-68(19-27-72)13-8-53-106-90(132)114(59-44-83(103)121)63-80(36-40-87(127)128)118(94(136)110-57-42-70-22-30-74(99)31-23-70)65-78(15-2-6-50-101)116(61-76(112-67-120)34-38-85(123)124)92(134)108-55-11-48-96(46-4-1-5-47-96)49-12-56-109-93(135)117(62-77(35-39-86(125)126)113-89(131)82-17-10-52-105-82)79(16-3-7-51-102)66-119(95(137)111-58-43-71-24-32-75(100)33-25-71)81(37-41-88(129)130)64-115(60-45-84(104)122)91(133)107-54-9-14-69-20-28-73(98)29-21-69/h18-33,67,76-82,105H,1-17,34-66,101-102H2,(H2,103,121)(H2,104,122)(H,106,132)(H,107,133)(H,108,134)(H,109,135)(H,110,136)(H,111,137)(H,112,120)(H,113,131)(H,123,124)(H,125,126)(H,127,128)(H,129,130)/t76?,77?,78?,79?,80?,81?,82-/m0/s1
    MOLECULAR FORMULA
    C96H145Br4N19O18
    CROSS REFERENCES
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    canSAR821941
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2167.77
    AlogP10.66
    HBond donors21
    HBond acceptors37
    Atoms282
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR821941.