General Information of the Compound
| Compound ID |
CP0016259
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| Compound Name |
4-(benzenesulfonyl)-N,11-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-amine
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| Structure |
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| Formula |
C17H19N5O2S
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| Molecular Weight |
357.439
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| Canonical SMILES |
CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-14-8-9-21(2)10-12(14)11-22(17)20-16/h3-7,11H,8-10H2,1-2H3,(H,18,20)
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| InChIKey |
CHVVPMVMKPMDFR-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
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2