General Information of the Compound
| Compound ID |
CP0432457
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| Compound Name |
4-[8-[[4-methyl-2-pyridin-4-yl-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 |
C28H26F3N3O4
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| Molecular Weight |
525.527
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| Canonical SMILES |
Cc1cc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc1C(F)(F)F)-c1ccncc1
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| InChI |
InChI=1S/C28H26F3N3O4/c1-18-14-23(19-6-10-32-11-7-19)21(15-24(18)28(29,30)31)16-33-12-8-27(9-13-33)17-34(26(37)38-27)22-4-2-20(3-5-22)25(35)36/h2-7,10-11,14-15H,8-9,12-13,16-17H2,1H3,(H,35,36)
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| InChIKey |
BCVOVTNIRFKYHC-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