General Information of the Compound
| Compound ID |
CP0011949
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| Compound Name |
7-[5-(2-chlorophenoxy)pyridin-3-yl]-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C19H19ClN2O
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| Molecular Weight |
326.827
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| Canonical SMILES |
Clc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1
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| InChI |
InChI=1S/C19H19ClN2O/c20-18-3-1-2-4-19(18)23-17-8-16(11-22-12-17)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
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| InChIKey |
DMDHFLXQSOBORU-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