General Information of the Compound
| Compound ID |
CP0961111
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| Compound Name |
N-(2-{7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
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| Structure |
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)c4ccc5c(c4)CCO5)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H30N4O5S/c26-14-19-1-3-21(4-2-19)32-12-10-29-17-22-15-28(16-23(18-29)34-22)9-8-27-35(30,31)24-5-6-25-20(13-24)7-11-33-25/h1-6,13,22-23,27H,7-12,15-18H2
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| InChIKey |
QJZIEQUUKOHPKT-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