General Information of the Compound
| Compound ID |
CP0950483
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| Compound Name |
1-(phenylsulfonyl)-2,3,4,6,7,8,9,10-octahydro-1H-azepino[4,5-g]quinoline
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| Structure |
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| Formula |
C19H22N2O2S
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| Molecular Weight |
342.464
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| Canonical SMILES |
O=S(=O)(c1ccccc1)N1CCCc2cc3c(cc21)CCNCC3
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| InChI |
InChI=1S/C19H22N2O2S/c22-24(23,18-6-2-1-3-7-18)21-12-4-5-17-13-15-8-10-20-11-9-16(15)14-19(17)21/h1-3,6-7,13-14,20H,4-5,8-12H2
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| InChIKey |
XCPVNGIJLNQRPW-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