General Information of the Compound
| Compound ID |
CP0432228
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| Compound Name |
1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C25H26FN3O5
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| Molecular Weight |
467.497
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26FN3O5/c1-33-19-7-6-8-20(34-2)22(19)18-15-21(28-29(18)17-11-9-16(26)10-12-17)27-23(30)25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,31,32)(H,27,28,30)
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| InChIKey |
UBRHIGGSOKDXRB-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: PT02142, Neurotensin receptor type 1
Protein ID: PT05740, Neurotensin receptor type 2