General Information of the Compound
| Compound ID |
CP0461897
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| Compound Name |
methyl 8-hydroxy-8-[2-(3-methylphenyl)ethynyl]-3-azabicyclo[4.2.0]octane-3-carboxylate
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| Structure |
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| Formula |
C18H21NO3
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| Molecular Weight |
299.37
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| Canonical SMILES |
COC(=O)N1CCC2CC(O)(C#Cc3cccc(C)c3)C2C1
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| InChI |
InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)6-8-18(21)11-15-7-9-19(12-16(15)18)17(20)22-2/h3-5,10,15-16,21H,7,9,11-12H2,1-2H3
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| InChIKey |
OFNVYYXEOJUGRH-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