General Information of the Compound
| Compound ID |
CP0862742
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| Compound Name |
N-{3-[7-(4-cyanobenzyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]propyl}-3,5-dimethylisoxazole-4-sulfonamide
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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)c1S(=O)(=O)NCCCN1CC2CN(Cc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C22H29N5O4S/c1-16-22(17(2)31-25-16)32(28,29)24-8-3-9-26-12-20-14-27(15-21(13-26)30-20)11-19-6-4-18(10-23)5-7-19/h4-7,20-21,24H,3,8-9,11-15H2,1-2H3
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| InChIKey |
WJGRCJUWVBJBSF-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