General Information of the Compound
| Compound ID |
CP0407797
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| Compound Name |
4-[8-[[2-(1-methylpyrazol-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 |
C26H25F3N4O4
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| Molecular Weight |
514.504
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(cc1CN1CCC2(CN(C(=O)O2)c2ccc(cc2)C(O)=O)CC1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N4O4/c1-31-14-19(13-30-31)22-7-4-20(26(27,28)29)12-18(22)15-32-10-8-25(9-11-32)16-33(24(36)37-25)21-5-2-17(3-6-21)23(34)35/h2-7,12-14H,8-11,15-16H2,1H3,(H,34,35)
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| InChIKey |
RJKNDLPQGKNRPC-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