General Information of the Compound
| Compound ID |
CP0452662
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| Compound Name |
4-Trifluoromethyl-13-thia-5,7,19-triaza-tricyclo[12.2.2.1*2,6*]nonadeca-1(17),2,4,6(19),14(18),15-hexaene 13,13-dioxide
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| Structure |
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| Formula |
C16H16F3N3O2S
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| Molecular Weight |
371.384
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| Canonical SMILES |
FC(F)(F)c1cc-2nc(NCCCCCS(=O)(=O)c3ccc-2cc3)n1
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| InChI |
InChI=1S/C16H16F3N3O2S/c17-16(18,19)14-10-13-11-4-6-12(7-5-11)25(23,24)9-3-1-2-8-20-15(21-13)22-14/h4-7,10H,1-3,8-9H2,(H,20,21,22)
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| InChIKey |
MHZTYRQVELFTGE-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2