General Information of the Compound
| Compound ID |
CP0426201
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| Compound Name |
1-Butyl-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
CCCCn1ncc(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C22H22N6O2/c1-2-3-12-28-20(19(14-23-28)22(29)30)13-15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-24-26-27-25-21/h4-11,14H,2-3,12-13H2,1H3,(H,29,30)(H,24,25,26,27)
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| InChIKey |
ZHBCRQGORJHDDO-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