General Information of the Compound
| Compound ID |
CP0226262
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| Compound Name |
4-(benzenesulfonyl)-N,8,11-trimethyl-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 |
C18H21N5O2S
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| Molecular Weight |
371.466
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| Canonical SMILES |
CNc1nn2c(C)c3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H21N5O2S/c1-12-14-11-22(3)10-9-15(14)20-18-16(17(19-2)21-23(12)18)26(24,25)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,19,21)
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| InChIKey |
SEVXABCKYJPXBW-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