General Information of the Compound
| Compound ID |
CP0967278
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| Compound Name |
1-(3-chlorophenyl)-N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)methanesulfonamide
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| Structure |
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| Formula |
C25H31ClN4O4S
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| Molecular Weight |
519.067
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)Cc4cccc(Cl)c4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H31ClN4O4S/c26-22-4-1-3-21(13-22)19-35(31,32)28-9-11-30-17-24-15-29(16-25(18-30)34-24)10-2-12-33-23-7-5-20(14-27)6-8-23/h1,3-8,13,24-25,28H,2,9-12,15-19H2
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| InChIKey |
WNISDSGJYBZINT-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