General Information of the Compound
| Compound ID |
CP0407844
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| Compound Name |
5-butyl-N-(1H-indol-3-ylmethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H26N6OS
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| Molecular Weight |
470.602
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| Canonical SMILES |
CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H26N6OS/c1-3-4-10-22-20(25(33)28-15-18-14-27-21-9-6-5-8-19(18)21)16-30-32(22)26-29-13-17(2)24(31-26)23-11-7-12-34-23/h5-9,11-14,16,27H,3-4,10,15H2,1-2H3,(H,28,33)
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| InChIKey |
TXDIARVDRHYBED-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