General Information of the Compound
| Compound ID |
CP0460414
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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]-4-ethylpiperidine-4-carboxylic acid
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| Structure |
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| Formula |
C30H38FN3O5
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| Molecular Weight |
539.648
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| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(=NO3)N2CCC(CC)(CC2)C(O)=O)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H38FN3O5/c1-4-29(28(35)36)11-13-34(14-12-29)26-17-30(39-32-26)19-33(20-30)18-21-15-24(37-5-2)27(25(16-21)38-6-3)22-7-9-23(31)10-8-22/h7-10,15-16H,4-6,11-14,17-20H2,1-3H3,(H,35,36)
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| InChIKey |
SKQRLFRQQOYFLV-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