General Information of the Compound
| Compound ID |
CP0866829
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| Compound Name |
4-[4-((S)-2-Amino-3-phenyl-propylamino)-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-7-yl]-but-3-yn-1-ol
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| Structure |
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| Formula |
C24H22FN5OS
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| Molecular Weight |
447.539
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CCCO)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C24H22FN5OS/c25-20-14-27-10-9-19(20)23-29-21-17(8-4-5-11-31)15-32-22(21)24(30-23)28-13-18(26)12-16-6-2-1-3-7-16/h1-3,6-7,9-10,14-15,18,31H,5,11-13,26H2,(H,28,29,30)/t18-/m0/s1
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| InChIKey |
SUDAMNSWCGEVTD-SFHVURJKSA-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