General Information of the Compound
| Compound ID |
CP0850682
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| Compound Name |
4-[2-(3-Fluoro-pyridin-4-yl)-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-7-yl]-2-methyl-but-3-yn-2-ol
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| Structure |
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| Formula |
C20H20FN5OS
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| Molecular Weight |
397.479
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| Canonical SMILES |
CC(C)(O)C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12
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| InChI |
InChI=1S/C20H20FN5OS/c1-20(2,27)6-3-12-11-28-17-16(12)25-18(14-5-8-23-10-15(14)21)26-19(17)24-13-4-7-22-9-13/h5,8,10-11,13,22,27H,4,7,9H2,1-2H3,(H,24,25,26)/t13-/m1/s1
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| InChIKey |
PQKPGCJYCBWFKX-CYBMUJFWSA-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