General Information of the Compound
| Compound ID |
CP0378988
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| Compound Name |
5-cyclopentyl-2-(2-phenylethynyl)-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
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| Structure |
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| Formula |
C18H16N2OS
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| Molecular Weight |
308.406
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| Canonical SMILES |
O=C1N(Cc2nc(sc12)C#Cc1ccccc1)C1CCCC1
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| InChI |
InChI=1S/C18H16N2OS/c21-18-17-15(12-20(18)14-8-4-5-9-14)19-16(22-17)11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-9,12H2
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| InChIKey |
AGRUDEKFABIJBU-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