General Information of the Compound
| Compound ID |
CP0241830
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| Compound Name |
7-(3-(2-chlorophenoxy)azetidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C19H21ClN2O3S
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| Molecular Weight |
392.908
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| Canonical SMILES |
Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C19H21ClN2O3S/c20-18-3-1-2-4-19(18)25-16-12-22(13-16)26(23,24)17-6-5-14-7-9-21-10-8-15(14)11-17/h1-6,11,16,21H,7-10,12-13H2
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| InChIKey |
XEGCYPFNZWBXQK-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