General Information of the Compound
| Compound ID |
CP0415426
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| Compound Name |
N-(1,3-benzothiazol-2-yl)spiro[1-azabicyclo[3.2.1]octane-6,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C16H18N4OS
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| Molecular Weight |
314.414
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| Canonical SMILES |
C1C2CCCN1CC21CN=C(Nc2nc3ccccc3s2)O1
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| InChI |
InChI=1S/C16H18N4OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-3-4-11(16)8-20/h1-2,5-6,11H,3-4,7-10H2,(H,17,18,19)
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| InChIKey |
YEDNHYAORODQHQ-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7