General Information of the Compound
| Compound ID |
CP0967273
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| Compound Name |
4-fluoro-N-{2-[7-(4-fluorobenzyl)-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl]ethyl}benzenesulfonamide
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| Structure |
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| Formula |
C21H25F2N3O3S
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| Molecular Weight |
437.512
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| Canonical SMILES |
O=S(=O)(NCCN1CC2CN(Cc3ccc(F)cc3)CC(C1)O2)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H25F2N3O3S/c22-17-3-1-16(2-4-17)11-26-14-19-12-25(13-20(15-26)29-19)10-9-24-30(27,28)21-7-5-18(23)6-8-21/h1-8,19-20,24H,9-15H2
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| InChIKey |
ZDOMPLIEHQRPHW-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