General Information of the Compound
| Compound ID |
CP0919419
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| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-5-methylisoxazole-4-sulfonamide
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| Structure |
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| Formula |
C22H29N5O5S
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| Molecular Weight |
475.571
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| Canonical SMILES |
Cc1oncc1S(=O)(=O)NCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C22H29N5O5S/c1-17-22(12-24-32-17)33(28,29)25-7-9-27-15-20-13-26(14-21(16-27)31-20)8-2-10-30-19-5-3-18(11-23)4-6-19/h3-6,12,20-21,25H,2,7-10,13-16H2,1H3
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| InChIKey |
DIJXFMJAYGGVBL-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