General Information of the Compound
| Compound ID |
CP0478370
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| Compound Name |
4-[2-[1-[3,5-diethoxy-4-(4-fluorophenyl)phenyl]ethyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]benzoic acid
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| Structure |
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| Formula |
C30H31FN2O5
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| Molecular Weight |
518.585
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| Canonical SMILES |
CCOc1cc(cc(OCC)c1-c1ccc(F)cc1)C(C)N1CC2(C1)CC(=NO2)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C30H31FN2O5/c1-4-36-26-14-23(15-27(37-5-2)28(26)21-10-12-24(31)13-11-21)19(3)33-17-30(18-33)16-25(32-38-30)20-6-8-22(9-7-20)29(34)35/h6-15,19H,4-5,16-18H2,1-3H3,(H,34,35)
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| InChIKey |
QJDAQIYEQNWLPT-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