General Information of the Compound
| Compound ID |
CP0438350
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| Compound Name |
4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C22H20N6O2S
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| Molecular Weight |
432.509
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12
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| InChI |
InChI=1S/C22H20N6O2S/c1-22(30,20-24-9-11-31-20)8-6-14-12-16(4-5-17(14)19(29)27(2)3)28-10-7-15-13-25-21(23)26-18(15)28/h4-5,7,9-13,30H,1-3H3,(H2,23,25,26)
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| InChIKey |
NXPIEWYJLPDCCM-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