General Information of the Compound
| Compound ID |
CP0538557
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| Compound Name |
ethyl 4-methyl-2-(pyrazin-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Formula |
C17H20N4O2S2
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| Molecular Weight |
376.507
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| Canonical SMILES |
CCOC(=O)c1c(NC(=S)Nc2cnccn2)sc2CCCC(C)c12
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| InChI |
InChI=1S/C17H20N4O2S2/c1-3-23-16(22)14-13-10(2)5-4-6-11(13)25-15(14)21-17(24)20-12-9-18-7-8-19-12/h7-10H,3-6H2,1-2H3,(H2,19,20,21,24)
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| InChIKey |
LIUFLHFLOUOUDG-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
Protein ID: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT02059, C-X-C chemokine receptor type 4