General Information of the Compound
| Compound ID |
CP0953094
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| Compound Name |
4-Cyano-N-(2-{7-[2-(2,4-difluoro-phenyl)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-N-methyl-benzenesulfonamide
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| Structure |
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| Formula |
C24H28F2N4O3S
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| Molecular Weight |
490.576
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| Canonical SMILES |
CN(CCN1CC2CN(CCc3ccc(F)cc3F)CC(C1)O2)S(=O)(=O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C24H28F2N4O3S/c1-28(34(31,32)23-6-2-18(13-27)3-7-23)10-11-30-16-21-14-29(15-22(17-30)33-21)9-8-19-4-5-20(25)12-24(19)26/h2-7,12,21-22H,8-11,14-17H2,1H3
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| InChIKey |
CWQJEYCQFHDOBZ-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