General Information of the Compound
| Compound ID |
CP0921075
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| Compound Name |
N-(4-cyanobenzyl)-2-{7-[(3,5-dimethylisoxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethanesulfonamide
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| Structure |
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| Formula |
C22H29N5O4S
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| Molecular Weight |
459.572
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| Canonical SMILES |
Cc1noc(C)c1CN1CC2CN(CCS(=O)(=O)NCc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C22H29N5O4S/c1-16-22(17(2)31-25-16)15-27-13-20-11-26(12-21(14-27)30-20)7-8-32(28,29)24-10-19-5-3-18(9-23)4-6-19/h3-6,20-21,24H,7-8,10-15H2,1-2H3
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| InChIKey |
XETNSAYFFZVTJX-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