General Information of the Compound
| Compound ID |
CP0375608
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| Compound Name |
[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C20H21N3OS
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| Molecular Weight |
351.475
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| Canonical SMILES |
O=C(N1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H21N3OS/c24-20(22-12-5-2-6-13-22)23-14-11-17-18(15-23)25-19(21-17)10-9-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,11-15H2
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| InChIKey |
VGBUVXAWSOAHDB-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