General Information of the Compound
| Compound ID |
CP0118628
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| Compound Name |
2-[(4-thiophen-2-ylthieno[3,2-d]pyrimidin-2-yl)amino]ethanol
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| Structure |
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| Formula |
C12H11N3OS2
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| Molecular Weight |
277.374
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| Canonical SMILES |
OCCNc1nc(-c2cccs2)c2sccc2n1
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| InChI |
InChI=1S/C12H11N3OS2/c16-5-4-13-12-14-8-3-7-18-11(8)10(15-12)9-2-1-6-17-9/h1-3,6-7,16H,4-5H2,(H,13,14,15)
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| InChIKey |
YBNJFMGHISFAAZ-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