General Information of the Compound
| Compound ID |
CP0389778
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| Compound Name |
4-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-3-methylbenzoic acid
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| Structure |
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| Formula |
C30H31FN2O5
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| Molecular Weight |
518.585
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| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(=NO3)c2ccc(cc2C)C(O)=O)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H31FN2O5/c1-4-36-26-13-20(14-27(37-5-2)28(26)21-6-9-23(31)10-7-21)16-33-17-30(18-33)15-25(32-38-30)24-11-8-22(29(34)35)12-19(24)3/h6-14H,4-5,15-18H2,1-3H3,(H,34,35)
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| InChIKey |
YIIDAHWKFXJTKF-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