General Information of the Compound
| Compound ID |
CP0398634
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| Compound Name |
(3R)-N-thieno[2,3-d]pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C15H17N5OS
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| Molecular Weight |
315.402
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| Canonical SMILES |
C1N=C(Nc2ncnc3sccc23)O[C@]11CN2CCC1CC2
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| InChI |
InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-12-11-3-6-22-13(11)18-9-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1
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| InChIKey |
JULJTYPKAJMMAE-HNNXBMFYSA-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7