General Information of the Compound
| Compound ID |
CP0555030
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| Compound Name |
5-Phenylethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
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| Structure |
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| Formula |
C15H12N2S
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| Molecular Weight |
252.342
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| Canonical SMILES |
NC1=NC(Cc2ccsc12)C#Cc1ccccc1
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| InChI |
InChI=1S/C15H12N2S/c16-15-14-12(8-9-18-14)10-13(17-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,13H,10H2,(H2,16,17)
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| InChIKey |
JQSCZZYXNHKNCQ-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