General Information of the Compound
| Compound ID |
CP0520914
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| Compound Name |
3-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]propanoic acid
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| Structure |
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| Formula |
C25H29FN2O5
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| Molecular Weight |
456.514
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| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(CCC(O)=O)=NO3)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H29FN2O5/c1-3-31-21-11-17(12-22(32-4-2)24(21)18-5-7-19(26)8-6-18)14-28-15-25(16-28)13-20(27-33-25)9-10-23(29)30/h5-8,11-12H,3-4,9-10,13-16H2,1-2H3,(H,29,30)
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| InChIKey |
GTYXXTFXSDAWHS-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: PT06443, Somatostatin receptor type 5
Protein ID: PT01196, Somatostatin receptor type 5