General Information of the Compound
| Compound ID |
CP0945381
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| Compound Name |
N-(3-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}propyl)propane-2-sulfonamide
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| Structure |
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| Formula |
C22H34N4O4S
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| Molecular Weight |
450.605
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| Canonical SMILES |
CC(C)S(=O)(=O)NCCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C22H34N4O4S/c1-18(2)31(27,28)24-9-3-10-25-14-21-16-26(17-22(15-25)30-21)11-4-12-29-20-7-5-19(13-23)6-8-20/h5-8,18,21-22,24H,3-4,9-12,14-17H2,1-2H3
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| InChIKey |
PUSGCGICUDEJIT-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