General Information of the Compound
| Compound ID |
CP0953551
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| Compound Name |
N-(4-cyanobenzyl)-2-[7-(4-cyanobenzyl)-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl]ethanesulfonamide
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| Structure |
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| Formula |
C23H25N5O3S
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| Molecular Weight |
451.552
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| Canonical SMILES |
N#Cc1ccc(CN2CC3CN(CCS(=O)(=O)Nc4ccc(C#N)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C23H25N5O3S/c24-11-18-1-3-20(4-2-18)13-28-16-22-14-27(15-23(17-28)31-22)9-10-32(29,30)26-21-7-5-19(12-25)6-8-21/h1-8,22-23,26H,9-10,13-17H2
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| InChIKey |
CMBXDRXQIOEUGQ-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