General Information of the Compound
| Compound ID |
CP0904443
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| Compound Name |
(S)-4-[4-((S)-2-Amino-3-phenyl-propylamino)-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-7-yl]-but-3-yn-2-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 |
C[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12
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| InChI |
InChI=1S/C24H22FN5OS/c1-15(31)7-8-17-14-32-22-21(17)29-23(19-9-10-27-13-20(19)25)30-24(22)28-12-18(26)11-16-5-3-2-4-6-16/h2-6,9-10,13-15,18,31H,11-12,26H2,1H3,(H,28,29,30)/t15-,18-/m0/s1
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| InChIKey |
ILKRBQZAUVEWOW-YJBOKZPZSA-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