General Information of the Compound
| Compound ID |
CP0733024
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| Compound Name |
4-{8-[(2,6-diethoxy-4'-fluorobiphenyl-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]dec-2-yl}benzoic acid trifluoromethyl acetate
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| Structure |
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| Formula |
C34H36F4N2O7
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| Molecular Weight |
660.661
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| Canonical SMILES |
CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C32H35FN2O5.C2HF3O2/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38;3-2(4,5)1(6)7/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38);(H,6,7)
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| InChIKey |
VFUWYNPQDXMVOJ-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT06443, Somatostatin receptor type 5
Protein ID: PT01196, Somatostatin receptor type 5