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Structure
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| Relationships |
Total Number of functionally related protein(s) :
31
Total Number of Articles : 53
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| PubChem |
193962
|
| Molecular Formula |
C20H15BrN6O |
| SMILES |
CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N |
| InChI |
InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) |
| synonyms |
- Etravirine
- 269055-15-4
- Intelence
- TMC-125
- Etravirine (TMC125)
- TMC125
- TMC 125
- R165335
- R-165335
- 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
- TMC125 cpd
- 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
- UNII-0C50HW4FO1
- Etravirine-d8
- 0C50HW4FO1
- CHEBI:63589
- R 165335
- 4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
- 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
- 4-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYLBENZONITRILE
- CHEMBL308954
- DTXSID30181412
- 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrile
- Benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-
- Benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
- ETRAVIRINE (MART.)
- ETRAVIRINE [MART.]
- Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
- 65B
- Intelence(TM)
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| Properties |
| Property |
Value |
| MW |
435.3 g/mol |
| HBD |
2 |
| HBA |
7 |
| Rotatable Bond Count |
4 |
| Exact Mass |
434.04907 g/mol |
| Monoisotopic Mass |
434.04907 g/mol |
| Heavy Atom Count |
28 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
609 |
| xlogp |
4.5 |
| Topological Polar Surface Area |
121 |
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