General Information of the Compound
| Compound ID |
CP0132921
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| Compound Name |
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine
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| Structure |
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| Formula |
C13H12BrN5
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| Molecular Weight |
318.178
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| Canonical SMILES |
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(Br)cc12
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| InChI |
InChI=1S/C13H12BrN5/c1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12/h3-6H,2H2,1H3,(H,16,17)(H2,15,18,19)
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| InChIKey |
APHLCEJVKPFNDR-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