General Information of the Compound
| Compound ID |
CP0513899
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| Compound Name |
4-(4-fluorophenyl)sulfonyl-11-methyl-5-methylsulfanyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
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| Structure |
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| Formula |
C17H17FN4O2S2
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| Molecular Weight |
392.481
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| Canonical SMILES |
CSc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H17FN4O2S2/c1-21-8-7-14-11(9-21)10-22-16(19-14)15(17(20-22)25-2)26(23,24)13-5-3-12(18)4-6-13/h3-6,10H,7-9H2,1-2H3
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| InChIKey |
BFYREPOKALKNEE-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