General Information of the Compound
| Compound ID |
CP0525623
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| Compound Name |
1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-pentyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H26N6OS
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| Molecular Weight |
446.58
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| Canonical SMILES |
CCCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C24H26N6OS/c1-3-4-5-7-20-19(23(31)26-15-18-9-11-25-12-10-18)16-28-30(20)24-27-14-17(2)22(29-24)21-8-6-13-32-21/h6,8-14,16H,3-5,7,15H2,1-2H3,(H,26,31)
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| InChIKey |
SIHDMQQEFJZUAD-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