General Information of the Compound
| Compound ID |
CP0864095
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| Compound Name |
(4-(2-((2,6-Diethoxy-4'-fluorobiphenyl-4-yl)methyl)-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl)phenyl)acetic acid hydrochloride
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| Structure |
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| Formula |
C30H32ClFN2O5
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| Molecular Weight |
555.046
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| Canonical SMILES |
CCOc1cc(CN2CC3(CC(c4ccc(CC(=O)O)cc4)=NO3)C2)cc(OCC)c1-c1ccc(F)cc1.Cl
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| InChI |
InChI=1S/C30H31FN2O5.ClH/c1-3-36-26-13-21(14-27(37-4-2)29(26)23-9-11-24(31)12-10-23)17-33-18-30(19-33)16-25(32-38-30)22-7-5-20(6-8-22)15-28(34)35;/h5-14H,3-4,15-19H2,1-2H3,(H,34,35);1H
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| InChIKey |
YNNRPWIKQWGSPM-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