Structure
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Relationships |
Total Number of functionally related protein(s) :
29
Total Number of Articles : 40
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PubChem |
183790
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Molecular Formula |
C33H39N2O2+ |
SMILES |
CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2 |
InChI |
InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 |
synonyms |
- TAK-779 cation
- TAK 779 (Chloride)
- TAK779
- TAK-779 (Chloride)
- 263765-56-6
- E921/TAK-779
- UNII-RN3X97C29H
- RN3X97C29H
- dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium
- N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium
- TAK 779
- CHEMBL41275
- N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium
- TAK 779 (*Chloride*)
- TAK-779 (*Chloride*)
- TAK779 & CD4 mAb
- TAK799
- dimethyl-[[4-[[3-(p-tolyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-tetrahydropyran-4-yl-ammonium
- TAK-779 & PA14
- TAK-279 & PRO 140
- GTPL783
- SCHEMBL1161322
- CHEMBL1178786
- DTXSID20180974
- BDBM50088301
- NCGC00487399-01
- N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium & Monoclonal antibody directed against CD4 receptor
- N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium & PRO 140 (Anti-CCR5 monoclonal antibody)
- N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium PRO 140 (Anti-CCR5 monoclonal antibody)
- L001057
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Properties |
Property |
Value |
MW |
495.7 g/mol |
HBD |
1 |
HBA |
2 |
Rotatable Bond Count |
6 |
Exact Mass |
495.301153491 g/mol |
Monoisotopic Mass |
495.301153491 g/mol |
Heavy Atom Count |
37 |
Isotope Atom Count |
0 |
Atom Stereo Count |
0 |
Covalent Unit Count |
1 |
Complexity |
769 |
xlogp |
6.4 |
Topological Polar Surface Area |
38.3 |
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