General Information of the Compound
| Compound ID |
CP0407796
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| Compound Name |
4-[8-[[3,5-dichloro-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
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| Structure |
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| Formula |
C22H19Cl2F3N2O5
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| Molecular Weight |
519.303
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(OC(F)(F)F)c(Cl)c3)CC2)OC1=O
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| InChI |
InChI=1S/C22H19Cl2F3N2O5/c23-16-9-13(10-17(24)18(16)33-22(25,26)27)11-28-7-5-21(6-8-28)12-29(20(32)34-21)15-3-1-14(2-4-15)19(30)31/h1-4,9-10H,5-8,11-12H2,(H,30,31)
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| InChIKey |
WRNVWMRDFYSOBJ-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
Protein ID: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5