General Information of the Compound
| Compound ID |
CP0377482
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| Compound Name |
3-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
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| Structure |
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| Formula |
C24H24N6O3
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| Molecular Weight |
444.495
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| Canonical SMILES |
O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
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| InChI |
InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)
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| InChIKey |
GGDYPNFYGKVTEZ-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