General Information of the Compound
| Compound ID |
CP0957417
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| Compound Name |
2-Methyl-1-(4-trifluoromethoxy-phenyl)-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene3,3-dioxide
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| Structure |
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| Formula |
C18H14F3N3O3S
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| Molecular Weight |
409.389
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| Canonical SMILES |
CN1C(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C18H14F3N3O3S/c1-24-17(12-4-7-13(8-5-12)27-18(19,20)21)14-9-6-11-3-2-10-22-15(11)16(14)23-28(24,25)26/h2-10,17,23H,1H3
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| InChIKey |
VQIHIKQTSWPXMI-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