General Information of the Compound
| Compound ID |
CP0397017
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| Compound Name |
3-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
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| Structure |
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| Formula |
C14H17ClN2O2
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| Molecular Weight |
280.755
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| Canonical SMILES |
Clc1cccc(OC(=O)N2CCN3CCC2CC3)c1
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| InChI |
InChI=1S/C14H17ClN2O2/c15-11-2-1-3-13(10-11)19-14(18)17-9-8-16-6-4-12(17)5-7-16/h1-3,10,12H,4-9H2
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| InChIKey |
RSRIXGQNDDWCGV-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