General Information of the Compound
| Compound ID |
CP0532552
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| Compound Name |
4-(2,5-Dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C12H16N4
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| Molecular Weight |
216.288
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| Canonical SMILES |
CC1CCC(C)N1c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C12H16N4/c1-8-3-4-9(2)16(8)12-10-5-6-13-11(10)14-7-15-12/h5-9H,3-4H2,1-2H3,(H,13,14,15)
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| InChIKey |
OBTMEDIKWQTUGY-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
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT00892, Tyrosine-protein kinase JAK3