General Information of the Compound
| Compound ID |
CP0850685
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| Compound Name |
(S)-4-[2-(3-Fluoro-pyridin-4-yl)-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-7-yl]-but-3-yn-2-ol
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| Structure |
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| Formula |
C19H18FN5OS
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| Molecular Weight |
383.452
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| Canonical SMILES |
C[C@H](O)C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12
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| InChI |
InChI=1S/C19H18FN5OS/c1-11(26)2-3-12-10-27-17-16(12)24-18(14-5-7-22-9-15(14)20)25-19(17)23-13-4-6-21-8-13/h5,7,9-11,13,21,26H,4,6,8H2,1H3,(H,23,24,25)/t11-,13+/m0/s1
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| InChIKey |
PFUVWCZMEBPKSC-WCQYABFASA-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