General Information of the Compound
| Compound ID |
CP0407806
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| Compound Name |
4-[8-[[2-(2,4-dichlorophenyl)-4-methyl-5-(trifluoromethyl)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 |
C29H25Cl2F3N2O4
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| Molecular Weight |
593.429
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| Canonical SMILES |
Cc1cc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc1C(F)(F)F)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C29H25Cl2F3N2O4/c1-17-12-23(22-7-4-20(30)14-25(22)31)19(13-24(17)29(32,33)34)15-35-10-8-28(9-11-35)16-36(27(39)40-28)21-5-2-18(3-6-21)26(37)38/h2-7,12-14H,8-11,15-16H2,1H3,(H,37,38)
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| InChIKey |
NSTBZGRGMVTWSK-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