General Information of the Compound
| Compound ID |
CP0408223
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| Compound Name |
1-[2-[[5-cyclopropyl-2-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 |
C30H36FN3O3
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| Molecular Weight |
505.634
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| Canonical SMILES |
CCc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1
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| InChI |
InChI=1S/C30H36FN3O3/c1-3-20-14-25(22-6-8-24(31)9-7-22)26(21-4-5-21)15-23(20)17-33-18-30(19-33)16-27(32-37-30)34-12-10-29(2,11-13-34)28(35)36/h6-9,14-15,21H,3-5,10-13,16-19H2,1-2H3,(H,35,36)
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| InChIKey |
OMOIAWJJTSOFKJ-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