General Information of the Compound
| Compound ID |
CP0373085
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| Compound Name |
6-(5-chloronaphthalen-2-ylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C22H19ClN2O2S
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| Molecular Weight |
410.926
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| Canonical SMILES |
Clc1cccc2cc(ccc12)S(=O)(=O)n1c2CCNCCc2c2ccccc12
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| InChI |
InChI=1S/C22H19ClN2O2S/c23-20-6-3-4-15-14-16(8-9-17(15)20)28(26,27)25-21-7-2-1-5-18(21)19-10-12-24-13-11-22(19)25/h1-9,14,24H,10-13H2
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| InChIKey |
TUTVJSZDRKLJLW-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