General Information of the Compound
| Compound ID |
CP0552848
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| Compound Name |
ethyl 2-(benzoylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Formula |
C20H22N2O3S2
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| Molecular Weight |
402.541
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| Canonical SMILES |
CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CCCC(C)c12
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| InChI |
InChI=1S/C20H22N2O3S2/c1-3-25-19(24)16-15-12(2)8-7-11-14(15)27-18(16)22-20(26)21-17(23)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,21,22,23,26)
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| InChIKey |
FGIMIJPJPWNRJQ-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