General Information of the Compound
| Compound ID |
CP0888243
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| Compound Name |
4-(benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-(N-pyrimidin-2-ylsulfamoyl)phenyl)piperazine-1-carbothioamide
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| Structure |
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| Formula |
C25H22N8O3S2
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| Molecular Weight |
546.638
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| Canonical SMILES |
O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
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| InChI |
InChI=1S/C25H22N8O3S2/c34-38(35,31-24-26-10-3-11-27-24)18-8-6-17(7-9-18)30-25(37)33-14-12-32(13-15-33)23-22-21(28-16-29-23)19-4-1-2-5-20(19)36-22/h1-11,16H,12-15H2,(H,30,37)(H,26,27,31)
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| InChIKey |
OJMFWYZTRLXJOX-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