General Information of the Compound
| Compound ID |
CP0533531
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| Compound Name |
4-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbut-3-yn-1-one
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| Structure |
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| Formula |
C20H20N6O2
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| Molecular Weight |
376.42
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| Canonical SMILES |
CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)C(=O)N1CCCC1
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| InChI |
InChI=1S/C20H20N6O2/c1-20(28,18(27)25-9-2-3-10-25)7-4-15-12-16(5-8-22-15)26-11-6-14-13-23-19(21)24-17(14)26/h5-6,8,11-13,28H,2-3,9-10H2,1H3,(H2,21,23,24)
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| InChIKey |
XFQIPYSYVGZULQ-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