General Information of the Compound
| Compound ID |
CP0952644
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| Compound Name |
1-Ethyl-2-methyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxide
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| Structure |
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| Formula |
C13H15N3O2S
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| Molecular Weight |
277.349
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| Canonical SMILES |
CCC1c2ccc3cccnc3c2NS(=O)(=O)N1C
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| InChI |
InChI=1S/C13H15N3O2S/c1-3-11-10-7-6-9-5-4-8-14-12(9)13(10)15-19(17,18)16(11)2/h4-8,11,15H,3H2,1-2H3
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| InChIKey |
BZXVIKYZODSABG-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