General Information of the Compound
| Compound ID |
CP0279823
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| Compound Name |
1-(pyridin-2-ylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole
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| Structure |
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| Formula |
C17H17N3O2S
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| Molecular Weight |
327.409
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| Canonical SMILES |
O=S(=O)(c1ccccn1)n1ccc2cc3CCNCCc3cc12
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| InChI |
InChI=1S/C17H17N3O2S/c21-23(22,17-3-1-2-7-19-17)20-10-6-15-11-13-4-8-18-9-5-14(13)12-16(15)20/h1-3,6-7,10-12,18H,4-5,8-9H2
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| InChIKey |
HQMMZOJQYXBMCZ-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