General Information of the Compound
| Compound ID |
CP0010654
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| Compound Name |
4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile
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| Synonyms |
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]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
65B
DAPY deriv
Diaminopyrimidine deriv
ETR
Etravirine
Etravirine (JAN/USAN/INN)
Intelence
Intelence (TN)
Intelence(TM)
R 165335
R-165335
R165335
R165335-TMC125
TMC 125
TMC-125
TMC-125/R-165335
TMC125
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| Structure |
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| Formula |
C20H15BrN6O
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| Molecular Weight |
435.285
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
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| 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)
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| InChIKey |
PYGWGZALEOIKDF-UHFFFAOYSA-N
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| CAS |
269055-15-4
394729-17-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00549, Reverse transcriptase
Cell-based Assay
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay
Biochemical Assays
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
IC50 = 9400 nM
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TI
LI
LO
TS
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| CL000247 | MT-4 | Homo sapiens (Human) | 1 |
| 1 |
CC50 > 4.59 nM
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TI
LI
LO
TS
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Clinical Information about the Compound