General Information of the Compound
| Compound ID |
CP0413897
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| Compound Name |
4-(benzenesulfonyl)-5,11-dimethyl-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 |
C17H18N4O2S
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| Molecular Weight |
342.424
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| Canonical SMILES |
CN1CCc2nc3c(c(C)nn3cc2C1)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)17-18-15-8-9-20(2)10-13(15)11-21(17)19-12/h3-7,11H,8-10H2,1-2H3
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| InChIKey |
BAUKMYDRBAHFKK-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