General Information of the Compound
| Compound ID |
CP0283242
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| Compound Name |
7-(4-nitrophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-3,4,5,6-tetrahydrodiazepine
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| Structure |
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| Formula |
C18H16F3N3O5S
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| Molecular Weight |
443.403
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C1=NN(CCCC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C18H16F3N3O5S/c19-18(20,21)29-15-8-10-16(11-9-15)30(27,28)23-12-2-1-3-17(22-23)13-4-6-14(7-5-13)24(25)26/h4-11H,1-3,12H2
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| InChIKey |
KGCQIOUZEREWDG-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