General Information of the Compound
| Compound ID |
CP0459836
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| Compound Name |
6-[1-(1-pyridin-2-ylpyrazol-3-yl)ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C17H14N4OS
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| Molecular Weight |
322.393
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| Canonical SMILES |
CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
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| InChI |
InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
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| InChIKey |
CPNJIZRYNQHWHQ-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