General Information of the Compound
| Compound ID |
CP0557770
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| Compound Name |
4-[3-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C19H15N5OS
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| Molecular Weight |
361.43
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| Canonical SMILES |
CC(O)(C#Cc1cccc(c1)-n1ccc2cnc(N)nc12)c1nccs1
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| InChI |
InChI=1S/C19H15N5OS/c1-19(25,17-21-8-10-26-17)7-5-13-3-2-4-15(11-13)24-9-6-14-12-22-18(20)23-16(14)24/h2-4,6,8-12,25H,1H3,(H2,20,22,23)
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| InChIKey |
AWMPEKRYMSBIBZ-UHFFFAOYSA-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