General Information of the Compound
| Compound ID |
CP0961117
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| Compound Name |
4-cyano-N-(2-{7-[3-(4-cyano-2,6-difluorophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H27F2N5O4S
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| Molecular Weight |
531.585
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCCOc4c(F)cc(C#N)cc4F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H27F2N5O4S/c26-23-10-19(13-29)11-24(27)25(23)35-9-1-7-31-14-20-16-32(17-21(15-31)36-20)8-6-30-37(33,34)22-4-2-18(12-28)3-5-22/h2-5,10-11,20-21,30H,1,6-9,14-17H2
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| InChIKey |
DSRHIOLRVWZQBY-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