General Information of the Compound
| Compound ID |
CP0492762
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| Compound Name |
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
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| Formula |
C20H21F3N2O4S2
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| Molecular Weight |
474.526
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| Canonical SMILES |
CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2COCCc12
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| InChI |
InChI=1S/C20H21F3N2O4S2/c1-19(2,3)29-17(26)15-13-8-9-27-10-14(13)31-16(15)25-18(30)24-11-4-6-12(7-5-11)28-20(21,22)23/h4-7H,8-10H2,1-3H3,(H2,24,25,30)
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| InChIKey |
QIUWAVVPEDEKEZ-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