General Information of the Compound
| Compound ID |
CP0389777
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| Compound Name |
1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]pyrrolidine-3-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C27H33ClFN3O5
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| Molecular Weight |
534.028
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| Canonical SMILES |
Cl.CCOc1cc(CN2CC3(C2)CC(=NO3)N2CCC(C2)C(O)=O)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H32FN3O5.ClH/c1-3-34-22-11-18(12-23(35-4-2)25(22)19-5-7-21(28)8-6-19)14-30-16-27(17-30)13-24(29-36-27)31-10-9-20(15-31)26(32)33;/h5-8,11-12,20H,3-4,9-10,13-17H2,1-2H3,(H,32,33);1H
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| InChIKey |
FWTACYVVURLFSR-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