General Information of the Compound
| Compound ID |
CP0400459
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| Compound Name |
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
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| Structure |
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| Formula |
C12H16N4OS
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| Molecular Weight |
264.354
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| Canonical SMILES |
OCCN1CCN(CC1)c1ncnc2sccc12
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| InChI |
InChI=1S/C12H16N4OS/c17-7-6-15-2-4-16(5-3-15)11-10-1-8-18-12(10)14-9-13-11/h1,8-9,17H,2-7H2
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| InChIKey |
RMZULTRHWHVHDS-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