General Information of the Compound
| Compound ID |
CP0914002
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| Compound Name |
1-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-ylethynyl]-cyclobutanol
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| Structure |
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| Formula |
C26H25N5OS
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| Molecular Weight |
455.587
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CCC3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H25N5OS/c27-21(15-18-5-2-1-3-6-18)16-29-25-23-22(30-24(31-25)19-8-13-28-14-9-19)20(17-33-23)7-12-26(32)10-4-11-26/h1-3,5-6,8-9,13-14,17,21,32H,4,10-11,15-16,27H2,(H,29,30,31)/t21-/m0/s1
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| InChIKey |
NQDZORLOCLMCTC-NRFANRHFSA-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