General Information of the Compound
| Compound ID |
CP0316955
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| Compound Name |
1-(thiophen-3-ylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole
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| Structure |
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| Formula |
C16H16N2O2S2
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| Molecular Weight |
332.45
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| Canonical SMILES |
O=S(=O)(c1ccsc1)n1ccc2cc3CCNCCc3cc12
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| InChI |
InChI=1S/C16H16N2O2S2/c19-22(20,15-4-8-21-11-15)18-7-3-14-9-12-1-5-17-6-2-13(12)10-16(14)18/h3-4,7-11,17H,1-2,5-6H2
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| InChIKey |
CZBRRHLYIHWSOA-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