General Information of the Compound
| Compound ID |
CP0479592
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| Compound Name |
2-(2-phenylethynyl)-5-piperidin-1-ylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
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| Structure |
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| Formula |
C18H19N3O2S2
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| Molecular Weight |
373.503
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| Canonical SMILES |
O=S(=O)(N1Cc2nc(sc2C1)C#Cc1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C18H19N3O2S2/c22-25(23,20-11-5-2-6-12-20)21-13-16-17(14-21)24-18(19-16)10-9-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,11-14H2
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| InChIKey |
ORRCPRICFMXULV-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