General Information of the Compound
| Compound ID |
CP0513900
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| Compound Name |
5-(benzenesulfonyl)-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
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| Structure |
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| Formula |
C17H18N4O2S
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| Molecular Weight |
342.424
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| Canonical SMILES |
CN1CCc2c(C1)cnc1c(c(C)nn21)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H18N4O2S/c1-12-16(24(22,23)14-6-4-3-5-7-14)17-18-10-13-11-20(2)9-8-15(13)21(17)19-12/h3-7,10H,8-9,11H2,1-2H3
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| InChIKey |
HXWBAPBYAWNJPM-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