General Information of the Compound
| Compound ID |
CP0000951
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| Compound Name |
7-(6-chloropyridin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C13H15ClN2
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| Molecular Weight |
234.73
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| Canonical SMILES |
Clc1ccc(cn1)C1=CC2CNCC(C2)C1
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| InChI |
InChI=1S/C13H15ClN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2
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| InChIKey |
QCSSDCOJCQOKNU-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