General Information of the Compound
| Compound ID |
CP0563374
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| Compound Name |
2-(4-aminoanilino)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C12H8F3N5OS
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| Molecular Weight |
327.291
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| Canonical SMILES |
Nc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
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| InChI |
InChI=1S/C12H8F3N5OS/c13-12(14,15)8-5-9(21)20-11(18-8)22-10(19-20)17-7-3-1-6(16)2-4-7/h1-5H,16H2,(H,17,19)
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| InChIKey |
KTUWBVKPDONSJL-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