General Information of the Compound
| Compound ID |
CP0381083
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| Compound Name |
2-[2-(3-fluorophenyl)ethynyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
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| Structure |
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| Formula |
C15H13FN2S
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| Molecular Weight |
272.348
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| Canonical SMILES |
CN1CCc2nc(sc2C1)C#Cc1cccc(F)c1
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| InChI |
InChI=1S/C15H13FN2S/c1-18-8-7-13-14(10-18)19-15(17-13)6-5-11-3-2-4-12(16)9-11/h2-4,9H,7-8,10H2,1H3
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| InChIKey |
HSMGFJOPGUKXKS-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