General Information of the Compound
| Compound ID |
CP0538561
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| Compound Name |
tert-butyl 6-(phenylcarbamothioylamino)-3,4-dihydro-2H-thieno[2,3-b]pyran-5-carboxylate
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| Formula |
C19H22N2O3S2
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| Molecular Weight |
390.53
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| Canonical SMILES |
CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2OCCCc12
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| InChI |
InChI=1S/C19H22N2O3S2/c1-19(2,3)24-16(22)14-13-10-7-11-23-17(13)26-15(14)21-18(25)20-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H2,20,21,25)
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| InChIKey |
BQBJBDVNSVUPFX-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