General Information of the Compound
| Compound ID |
CP0414320
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| Compound Name |
4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C24H29N5O4S
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| Molecular Weight |
483.594
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| Canonical SMILES |
CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1
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| InChI |
InChI=1S/C24H29N5O4S/c1-34(30,31)29-13-9-22-18(17-29)16-23(33-22)21-8-10-25-24(27-21)26-19-4-6-20(7-5-19)32-15-14-28-11-2-3-12-28/h4-8,10,16H,2-3,9,11-15,17H2,1H3,(H,25,26,27)
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| InChIKey |
TUDXHHYZZGRTGM-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: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT05132, Tyrosine-protein kinase JAK3