General Information of the Compound
| Compound ID |
CP0381040
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| Compound Name |
5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
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| Structure |
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| Formula |
C18H17FN2S
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| Molecular Weight |
312.413
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| Canonical SMILES |
Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCC1
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| InChI |
InChI=1S/C18H17FN2S/c19-14-4-1-3-13(11-14)7-8-18-20-16-9-10-21(12-17(16)22-18)15-5-2-6-15/h1,3-4,11,15H,2,5-6,9-10,12H2
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| InChIKey |
RIBGQZYTHLVWHH-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