General Information of the Compound
| Compound ID |
CP0953128
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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)-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C26H34N4O4S
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| Molecular Weight |
498.649
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCCNS(=O)(=O)Cc4ccccc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C26H34N4O4S/c27-16-22-8-10-24(11-9-22)33-15-5-14-30-19-25-17-29(18-26(20-30)34-25)13-4-12-28-35(31,32)21-23-6-2-1-3-7-23/h1-3,6-11,25-26,28H,4-5,12-15,17-21H2
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| InChIKey |
CIICAQIUYRLOEX-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