General Information of the Compound
| Compound ID |
CP0536715
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| Compound Name |
6-Ethynyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
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| Structure |
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| Formula |
C9H8N2S
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| Molecular Weight |
176.244
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| Canonical SMILES |
NC1=NC(Cc2sccc12)C#C
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| InChI |
InChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11)
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| InChIKey |
NNUPDBFRVPMTCH-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
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible