General Information of the Compound
| Compound ID |
CP0000478
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| Compound Name |
7-(6-chloropyridazin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C12H14ClN3
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| Molecular Weight |
235.718
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| Canonical SMILES |
Clc1ccc(nn1)C1=CC2CNCC(C2)C1
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| InChI |
InChI=1S/C12H14ClN3/c13-12-2-1-11(15-16-12)10-4-8-3-9(5-10)7-14-6-8/h1-2,4,8-9,14H,3,5-7H2
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| InChIKey |
BEXHXBAKDDOWBF-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