General Information of the Compound
| Compound ID |
CP0407848
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| Compound Name |
N-ethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propyl-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 |
CCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)N(CC)Cc1ccncc1
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| InChI |
InChI=1S/C24H26N6OS/c1-4-7-20-19(23(31)29(5-2)16-18-9-11-25-12-10-18)15-27-30(20)24-26-14-17(3)22(28-24)21-8-6-13-32-21/h6,8-15H,4-5,7,16H2,1-3H3
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| InChIKey |
VYQNAUBDDIWTSJ-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