General Information of the Compound
| Compound ID |
CP0957500
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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)-1-[4-(trifluoromethyl)phenyl]methane-sulfonamide
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| Structure |
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| Formula |
C26H31F3N4O4S
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| Molecular Weight |
552.619
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)Cc4ccc(C(F)(F)F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C26H31F3N4O4S/c27-26(28,29)22-6-2-21(3-7-22)19-38(34,35)31-10-12-33-17-24-15-32(16-25(18-33)37-24)11-1-13-36-23-8-4-20(14-30)5-9-23/h2-9,24-25,31H,1,10-13,15-19H2
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| InChIKey |
RMCRBNXLUKUWAP-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