General Information of the Compound
| Compound ID |
CP0028925
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| Compound Name |
4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
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| Synonyms |
2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)-
213473-00-8
4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
AKOS027469387
AS-49872
BDBM10840
CHEMBL44541
CTK0J7680
DTXSID50434275
Meridianin C
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
SCHEMBL1612228
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| Structure |
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| Formula |
C12H9BrN4
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| Molecular Weight |
289.136
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| Canonical SMILES |
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
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| InChI |
InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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| InChIKey |
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
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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: PT02204, Cytochrome P450 1A1
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Clinical Information about the Compound