General Information of the Compound
| Compound ID |
CP0942355
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| Compound Name |
N-(4-cyanobenzyl)-2-{7-[2-(4-fluorophenyl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethanesulfonamide
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| Structure |
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| Formula |
C24H29FN4O3S
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| Molecular Weight |
472.586
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| Canonical SMILES |
N#Cc1ccc(CNS(=O)(=O)CCN2CC3CN(CCc4ccc(F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H29FN4O3S/c25-22-7-5-19(6-8-22)9-10-28-15-23-17-29(18-24(16-28)32-23)11-12-33(30,31)27-14-21-3-1-20(13-26)2-4-21/h1-8,23-24,27H,9-12,14-18H2
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| InChIKey |
ZLGQNDJCTWIGBZ-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