General Information of the Compound
| Compound ID |
CP0158281
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| Compound Name |
1-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole
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| Structure |
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| Formula |
C18H18N2O2S
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| Molecular Weight |
326.421
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2cc3CCNCCc3cc12
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| InChI |
InChI=1S/C18H18N2O2S/c21-23(22,17-4-2-1-3-5-17)20-11-8-16-12-14-6-9-19-10-7-15(14)13-18(16)20/h1-5,8,11-13,19H,6-7,9-10H2
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| InChIKey |
FVKXOARNHRLXBY-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