General Information of the Compound
| Compound ID |
CP0466942
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| Compound Name |
6-[(1S)-1-[1-(5-fluoropyridin-2-yl)pyrazol-3-yl]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C17H13FN4OS
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| Molecular Weight |
340.383
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| Canonical SMILES |
C[C@H](c1ccn(n1)-c1ccc(F)cn1)c1ccc2[nH]c(=O)sc2c1
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| InChI |
InChI=1S/C17H13FN4OS/c1-10(11-2-4-14-15(8-11)24-17(23)20-14)13-6-7-22(21-13)16-5-3-12(18)9-19-16/h2-10H,1H3,(H,20,23)/t10-/m0/s1
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| InChIKey |
YCRPNLDDGLKLJG-JTQLQIEISA-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