General Information of the Compound
| Compound ID |
CP0568727
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| Compound Name |
2-[6-(1-benzothiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
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| Structure |
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| Formula |
C16H10N2O2S3
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| Molecular Weight |
358.469
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| Canonical SMILES |
OC(=O)CSc1ncnc2sc(cc12)-c1cc2ccccc2s1
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| InChI |
InChI=1S/C16H10N2O2S3/c19-14(20)7-21-15-10-6-13(23-16(10)18-8-17-15)12-5-9-3-1-2-4-11(9)22-12/h1-6,8H,7H2,(H,19,20)
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| InChIKey |
RRIRDIKTUQVZCW-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