General Information of the Compound
| Compound ID |
CP0438034
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| Compound Name |
3-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]benzonitrile
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| Structure |
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| Formula |
C20H14N6OS
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| Molecular Weight |
386.44
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| Canonical SMILES |
CC(O)(C#Cc1cc(cc(c1)-n1ccc2cnc(N)nc12)C#N)c1nccs1
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| InChI |
InChI=1S/C20H14N6OS/c1-20(27,18-23-5-7-28-18)4-2-13-8-14(11-21)10-16(9-13)26-6-3-15-12-24-19(22)25-17(15)26/h3,5-10,12,27H,1H3,(H2,22,24,25)
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| InChIKey |
XXNJNHSBBCCZNC-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