General Information of the Compound
| Compound ID |
CP0538559
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| Compound Name |
tert-butyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Formula |
C20H24N2O2S2
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| Molecular Weight |
388.558
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| Canonical SMILES |
CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCCc12
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| InChI |
InChI=1S/C20H24N2O2S2/c1-20(2,3)24-18(23)16-14-11-7-8-12-15(14)26-17(16)22-19(25)21-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H2,21,22,25)
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| InChIKey |
YORRHQVVRUIWKP-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