General Information of the Compound
| Compound ID |
CP0858392
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| Compound Name |
N-(2-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diaza-bicyclo [3.3.1]non-3-yl}ethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
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| Structure |
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| Formula |
C26H31FN4O5S
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| Molecular Weight |
530.622
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| Canonical SMILES |
CN(CCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2)S(=O)(=O)c1ccc2c(c1)CCO2
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| InChI |
InChI=1S/C26H31FN4O5S/c1-29(37(32,33)23-3-5-25-20(13-23)6-10-34-25)7-8-30-15-21-17-31(18-22(16-30)36-21)9-11-35-26-4-2-19(14-28)12-24(26)27/h2-5,12-13,21-22H,6-11,15-18H2,1H3
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| InChIKey |
WULDWQZLRKAERS-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