General Information of the Compound
| Compound ID |
CP0938224
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| Compound Name |
Methyl 3-endo-hydroxy-3-(m-tolylethynyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Formula |
C18H21NO3
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| Molecular Weight |
299.37
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| Canonical SMILES |
COC(=O)N1[C@@H]2CC[C@H]1C[C@@](O)(C#Cc1cccc(C)c1)C2
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| InChI |
InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)8-9-18(21)11-15-6-7-16(12-18)19(15)17(20)22-2/h3-5,10,15-16,21H,6-7,11-12H2,1-2H3/t15-,16+,18-
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| InChIKey |
SONLNLJEFBMKGV-ALXJQNPVSA-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