General Information of the Compound
| Compound ID |
CP0407800
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| Compound Name |
4-[8-[[4-(4-fluorophenyl)-3,5-dimethylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
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| Structure |
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| Formula |
C30H31FN2O3
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| Molecular Weight |
486.587
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| Canonical SMILES |
Cc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(C)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H31FN2O3/c1-20-15-22(16-21(2)28(20)23-3-7-25(31)8-4-23)18-32-13-11-30(12-14-32)17-27(34)33(19-30)26-9-5-24(6-10-26)29(35)36/h3-10,15-16H,11-14,17-19H2,1-2H3,(H,35,36)
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| InChIKey |
PVNVBPIMTIFJPG-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