General Information of the Compound
| Compound ID |
CP0197136
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| Compound Name |
2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C17H12FN3OS
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| Molecular Weight |
325.368
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| Canonical SMILES |
Cc1[nH]n(-c2nc3ccc(F)cc3s2)c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C17H12FN3OS/c1-10-15(11-5-3-2-4-6-11)16(22)21(20-10)17-19-13-8-7-12(18)9-14(13)23-17/h2-9,20H,1H3
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| InChIKey |
PBYCPTODWNPBCX-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