General Information of the Compound
| Compound ID |
CP0525627
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| Compound Name |
2-[5-[[[5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]methyl]imidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H25N7O3S
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| Molecular Weight |
479.566
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| Canonical SMILES |
CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cncn1CC(O)=O
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| InChI |
InChI=1S/C23H25N7O3S/c1-3-4-6-18-17(22(33)25-11-16-10-24-14-29(16)13-20(31)32)12-27-30(18)23-26-9-15(2)21(28-23)19-7-5-8-34-19/h5,7-10,12,14H,3-4,6,11,13H2,1-2H3,(H,25,33)(H,31,32)
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| InChIKey |
PSBCZUNMLKUTRI-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