General Information of the Compound
| Compound ID |
CP0870271
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| Compound Name |
2-Phenyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene3,3-dioxide
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| Structure |
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| Formula |
C16H13N3O2S
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| Molecular Weight |
311.366
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| Canonical SMILES |
O=S1(=O)Nc2c(ccc3cccnc23)CN1c1ccccc1
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| InChI |
InChI=1S/C16H13N3O2S/c20-22(21)18-16-13(9-8-12-5-4-10-17-15(12)16)11-19(22)14-6-2-1-3-7-14/h1-10,18H,11H2
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| InChIKey |
PHOHAPVTTWPRRV-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