General Information of the Compound
| Compound ID |
CP0471071
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| Compound Name |
4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-ylmethyl)-biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C25H30N2O3
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| Molecular Weight |
406.526
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| Canonical SMILES |
CCCCC1NC(=O)C2(CCCC2)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C25H30N2O3/c1-2-3-10-22-26-24(30)25(15-6-7-16-25)27(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23(28)29/h4-5,8-9,11-14,22H,2-3,6-7,10,15-17H2,1H3,(H,26,30)(H,28,29)
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| InChIKey |
ILERVMNMFVURPH-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: PT05756, Leukotriene B4 receptor 2
Protein ID: PT01197, Type-1 angiotensin II receptor