General Information of the Compound
| Compound ID |
CP0407799
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| Compound Name |
4-[8-[[4-methyl-5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
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| Structure |
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| Formula |
C29H24F6N2O4
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| Molecular Weight |
578.509
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| Canonical SMILES |
Cc1cc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc1C(F)(F)F)-c1ccc(F)c(F)c1F
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| InChI |
InChI=1S/C29H24F6N2O4/c1-16-12-21(20-6-7-23(30)25(32)24(20)31)18(13-22(16)29(33,34)35)14-36-10-8-28(9-11-36)15-37(27(40)41-28)19-4-2-17(3-5-19)26(38)39/h2-7,12-13H,8-11,14-15H2,1H3,(H,38,39)
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| InChIKey |
XTTNQXBGYDONLH-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