General Information of the Compound
| Compound ID |
CP0451005
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| Compound Name |
2-(3-nitrophenyl)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C12H5F3N4O3S
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| Molecular Weight |
342.258
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
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| InChI |
InChI=1S/C12H5F3N4O3S/c13-12(14,15)8-5-9(20)18-11(16-8)23-10(17-18)6-2-1-3-7(4-6)19(21)22/h1-5H
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| InChIKey |
CCKVZPQKIZJNPJ-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