General Information of the Compound
| Compound ID |
CP0493214
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| Compound Name |
1-[2-[[3-ethoxy-5-ethyl-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylic acid
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| Structure |
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| Formula |
C29H36FN3O4
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| Molecular Weight |
509.622
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| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(=NO3)N2CCC(C)(CC2)C(O)=O)cc(CC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H36FN3O4/c1-4-21-14-20(15-24(36-5-2)26(21)22-6-8-23(30)9-7-22)17-32-18-29(19-32)16-25(31-37-29)33-12-10-28(3,11-13-33)27(34)35/h6-9,14-15H,4-5,10-13,16-19H2,1-3H3,(H,34,35)
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| InChIKey |
GEBQVNIDXJDSIY-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