General Information of the Compound
| Compound ID |
CP0112137
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| Compound Name |
(3-Bromo-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine
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| Structure |
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| Formula |
C14H13BrN4
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| Molecular Weight |
317.19
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| Canonical SMILES |
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
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| InChI |
InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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| InChIKey |
FCNOOCZWZIUGIT-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