General Information of the Compound
| Compound ID |
CP0959890
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| Compound Name |
4-cyano-N-(2-{7-[3-(4-fluorophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H29FN4O4S
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| Molecular Weight |
488.585
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCCOc4ccc(F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H29FN4O4S/c25-20-4-6-21(7-5-20)32-13-1-11-28-15-22-17-29(18-23(16-28)33-22)12-10-27-34(30,31)24-8-2-19(14-26)3-9-24/h2-9,22-23,27H,1,10-13,15-18H2
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| InChIKey |
FRYUGOJIFNRNEN-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