General Information of the Compound
| Compound ID |
CP0437466
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| Compound Name |
5-Ethynyl-2-methyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
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| Structure |
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| Formula |
C10H10N2S
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| Molecular Weight |
190.271
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| Canonical SMILES |
Cc1cc2CC(N=C(N)c2s1)C#C
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| InChI |
InChI=1S/C10H10N2S/c1-3-8-5-7-4-6(2)13-9(7)10(11)12-8/h1,4,8H,5H2,2H3,(H2,11,12)
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| InChIKey |
YZFZKTWAMLXSPG-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