General Information of the Compound
| Compound ID |
CP0480136
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| Compound Name |
ethyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Formula |
C21H26N2O4S2
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| Molecular Weight |
434.583
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| Canonical SMILES |
CCOC(=O)c1c(NC(=S)Nc2ccc(OC)c(OC)c2)sc2CCCC(C)c12
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| InChI |
InChI=1S/C21H26N2O4S2/c1-5-27-20(24)18-17-12(2)7-6-8-16(17)29-19(18)23-21(28)22-13-9-10-14(25-3)15(11-13)26-4/h9-12H,5-8H2,1-4H3,(H2,22,23,28)
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| InChIKey |
CGBSCEYRGGKKMU-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