General Information of the Compound
| Compound ID |
CP0377173
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| Compound Name |
5-(azepan-1-yl)-3-(3-chlorophenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C19H18ClN5O2S2
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| Molecular Weight |
447.973
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(nc12)N1CCCCCC1
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| InChI |
InChI=1S/C19H18ClN5O2S2/c20-13-6-5-7-14(12-13)29(26,27)19-18-21-17(24-9-3-1-2-4-10-24)16-15(8-11-28-16)25(18)23-22-19/h5-8,11-12H,1-4,9-10H2
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| InChIKey |
NNJGAFRGKAFIDC-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