General Information of the Compound
| Compound ID |
CP0482622
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| Compound Name |
2-(3-phenylphenyl)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C18H10F3N3OS
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| Molecular Weight |
373.359
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| Canonical SMILES |
FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C18H10F3N3OS/c19-18(20,21)14-10-15(25)24-17(22-14)26-16(23-24)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H
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| InChIKey |
MSYBPZGNFMYKLA-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: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT03662, Intestinal-type alkaline phosphatase