General Information of the Compound
| Compound ID |
CP0388570
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| Compound Name |
1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]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(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O
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| InChI |
InChI=1S/C25H26FN3O5/c1-33-20-7-6-8-21(34-2)22(20)19-15-18(28-29(19)17-11-9-16(26)10-12-17)23(30)27-25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,27,30)(H,31,32)
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| InChIKey |
DJDJKAVIQKSVPS-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