General Information of the Compound
| Compound ID |
CP0954605
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| Compound Name |
4-cyano-N-(2-{7-[3-(4-cyano-2-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 |
C25H28FN5O4S
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| Molecular Weight |
513.595
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCCOc4ccc(C#N)cc4F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H28FN5O4S/c26-24-12-20(14-28)4-7-25(24)34-11-1-9-30-15-21-17-31(18-22(16-30)35-21)10-8-29-36(32,33)23-5-2-19(13-27)3-6-23/h2-7,12,21-22,29H,1,8-11,15-18H2
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| InChIKey |
NEZSJEOOLKCAFY-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