General Information of the Compound
| Compound ID |
CP0561817
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| Compound Name |
6-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C28H28FN3O5
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| Molecular Weight |
505.546
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| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(=NO3)c2ccc(cn2)C(O)=O)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28FN3O5/c1-3-35-24-11-18(12-25(36-4-2)26(24)19-5-8-21(29)9-6-19)15-32-16-28(17-32)13-23(31-37-28)22-10-7-20(14-30-22)27(33)34/h5-12,14H,3-4,13,15-17H2,1-2H3,(H,33,34)
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| InChIKey |
KRRXSKRETLULOR-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