General Information of the Compound
Compound ID |
CP0326425
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Compound Name |
3-[2-[2-(3,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-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 |
C25H24F2N6O3
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Molecular Weight |
494.502
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Canonical SMILES |
Cc1cnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)nc1-c1cc2CN(CCc2o1)C(=O)CC#N
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InChI |
InChI=1S/C25H24F2N6O3/c1-15-13-29-25(30-17-11-18(26)24(19(27)12-17)32-6-8-35-9-7-32)31-23(15)21-10-16-14-33(22(34)2-4-28)5-3-20(16)36-21/h10-13H,2-3,5-9,14H2,1H3,(H,29,30,31)
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InChIKey |
LJACZUSJYLWSLY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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