General Information of the Compound
| Compound ID |
CP0231532
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| Compound Name |
tert-butyl 4-methyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
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| Formula |
C20H24N2O3S2
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| Molecular Weight |
404.557
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| Canonical SMILES |
CC1COCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12
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| InChI |
InChI=1S/C20H24N2O3S2/c1-12-10-24-11-14-15(12)16(18(23)25-20(2,3)4)17(27-14)22-19(26)21-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H2,21,22,26)
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| InChIKey |
CRHRLCOJLBNAFG-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