General Information of the Compound
| Compound ID |
CP0082518
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| Compound Name |
[(2S)-1-[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C14H14N4OS2
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| Molecular Weight |
318.427
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| Canonical SMILES |
OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
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| InChI |
InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m0/s1
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| InChIKey |
DFJYJKJUDWOECT-VIFPVBQESA-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