General Information of the Compound
| Compound ID |
CP0516219
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| Compound Name |
5-(benzenesulfonyl)-N-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
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| Structure |
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| Formula |
C16H17N5O2S
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| Molecular Weight |
343.412
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| Canonical SMILES |
CNc1nn2c3CCNCc3cnc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H17N5O2S/c1-17-15-14(24(22,23)12-5-3-2-4-6-12)16-19-10-11-9-18-8-7-13(11)21(16)20-15/h2-6,10,18H,7-9H2,1H3,(H,17,20)
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| InChIKey |
QHHSRUJIHHZGHA-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