General Information of the Compound
| Compound ID |
CP0272495
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| Compound Name |
4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
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| Structure |
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| Formula |
C17H11BrN4
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| Molecular Weight |
351.207
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| Canonical SMILES |
Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
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| InChI |
InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
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| InChIKey |
DIDDNVPEZKJYOM-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